2-[4-(4-cyanophenyl)piperazin-1-yl]-7-cyclopentyl-5-fluoro-N,N-dimethylpyrrolo[2,3-d]pyrimidine-6-carboxamide;7-cyclopentyl-N,N-dimethyl-2-[[5-piperazin-1-yl-4-(trifluoromethyl)-2-pyridinyl]amino]pyrrolo[2,3-d]pyrimidine-6-carboxamide;7-cyclopentyl-5-fluoro-N,N-dimethyl-2-[[6-(4-methylpiperazin-1-yl)-3-pyridinyl]amino]pyrrolo[2,3-d]pyrimidine-6-carboxamide;7-cyclopentyl-5-fluoro-N,N-dimethyl-2-[[5-piperazin-1-yl-4-(trifluoromethyl)-2-pyridinyl]amino]pyrrolo[2,3-d]pyrimidine-6-carboxamide;7-cyclopentyl-5-fluoro-N,N-dimethyl-2-[[6-(2-piperidin-1-ylethoxy)-3-pyridinyl]amino]pyrrolo[2,3-d]pyrimidine-6-carboxamide;7-cyclopentyl-5-fluoro-N,N-dimethyl-2-[[6-(2-pyrrolidin-1-ylethoxy)-3-pyridinyl]amino]pyrrolo[2,3-d]pyrimidine-6-carboxamide

C148H182F11N45O8 — CID 163790513

IUPAC2-[4-(4-cyanophenyl)piperazin-1-yl]-7-cyclopentyl-5-fluoro-N,N-dimethylpyrrolo[2,3-d]pyrimidine-6-carboxamide;7-cyclopentyl-N,N-dimethyl-2-[[5-piperazin-1-yl-4-(trifluoromethyl)-2-pyridinyl]amino]pyrrolo[2,3-d]pyrimidine-6-carboxamide;7-cyclopentyl-5-fluoro-N,N-dimethyl-2-[[6-(4-methylpiperazin-1-yl)-3-pyridinyl]amino]pyrrolo[2,3-d]pyrimidine-6-carboxamide;7-cyclopentyl-5-fluoro-N,N-dimethyl-2-[[5-piperazin-1-yl-4-(trifluoromethyl)-2-pyridinyl]amino]pyrrolo[2,3-d]pyrimidine-6-carboxamide;7-cyclopentyl-5-fluoro-N,N-dimethyl-2-[[6-(2-piperidin-1-ylethoxy)-3-pyridinyl]amino]pyrrolo[2,3-d]pyrimidine-6-carboxamide;7-cyclopentyl-5-fluoro-N,N-dimethyl-2-[[6-(2-pyrrolidin-1-ylethoxy)-3-pyridinyl]amino]pyrrolo[2,3-d]pyrimidine-6-carboxamide
SMILESCN(C)C(=O)c1c(F)c2cnc(N3CCN(c4ccc(C#N)cc4)CC3)nc2n1C1CCCC1.CN(C)C(=O)c1c(F)c2cnc(Nc3cc(C(F)(F)F)c(N4CCNCC4)cn3)nc2n1C1CCCC1.CN(C)C(=O)c1c(F)c2cnc(Nc3ccc(OCCN4CCCC4)nc3)nc2n1C1CCCC1.CN(C)C(=O)c1c(F)c2cnc(Nc3ccc(OCCN4CCCCC4)nc3)nc2n1C1CCCC1.CN(C)C(=O)c1cc2cnc(Nc3cc(C(F)(F)F)c(N4CCNCC4)cn3)nc2n1C1CCCC1.CN1CCN(c2ccc(Nc3ncc4c(F)c(C(=O)N(C)C)n(C5CCCC5)c4n3)cn2)CC1
InChIInChI=1S/C26H34FN7O2.C25H32FN7O2.C25H28FN7O.C24H28F4N8O.C24H29F3N8O.C24H31FN8O/c1-32(2)25(35)23-22(27)20-17-29-26(31-24(20)34(23)19-8-4-5-9-19)30-18-10-11-21(28-16-18)36-15-14-33-12-6-3-7-13-33;1-31(2)24(34)22-21(26)19-16-28-25(30-23(19)33(22)18-7-3-4-8-18)29-17-9-10-20(27-15-17)35-14-13-32-11-5-6-12-32;1-30(2)24(34)22-21(26)20-16-28-25(29-23(20)33(22)19-5-3-4-6-19)32-13-11-31(12-14-32)18-9-7-17(15-27)8-10-18;1-34(2)22(37)20-19(25)15-12-31-23(33-21(15)36(20)14-5-3-4-6-14)32-18-11-16(24(26,27)28)17(13-30-18)35-9-7-29-8-10-35;1-33(2)22(36)18-11-15-13-30-23(32-21(15)35(18)16-5-3-4-6-16)31-20-12-17(24(25,26)27)19(14-29-20)34-9-7-28-8-10-34;1-30(2)23(34)21-20(25)18-15-27-24(29-22(18)33(21)17-6-4-5-7-17)28-16-8-9-19(26-14-16)32-12-10-31(3)11-13-32/h10-11,16-17,19H,3-9,12-15H2,1-2H3,(H,29,30,31);9-10,15-16,18H,3-8,11-14H2,1-2H3,(H,28,29,30);7-10,16,19H,3-6,11-14H2,1-2H3;11-14,29H,3-10H2,1-2H3,(H,30,31,32,33);11-14,16,28H,3-10H2,1-2H3,(H,29,30,31,32);8-9,14-15,17H,4-7,10-13H2,1-3H3,(H,27,28,29)
InChIKeyMWHRMKJQSBFHAY-UHFFFAOYSA-N
MW2928.37 g/mol
LogP23.02
Rot. Bonds35

About 2-[4-(4-cyanophenyl)piperazin-1-yl]-7-cyclopentyl-5-fluoro-N,N-dimethylpyrrolo[2,3-d]pyrimidine-6-carboxamide;7-cyclopentyl-N,N-dimethyl-2-[[5-piperazin-1-yl-4-(trifluoromethyl)-2-pyridinyl]amino]pyrrolo[2,3-d]pyrimidine-6-carboxamide;7-cyclopentyl-5-fluoro-N,N-dimethyl-2-[[6-(4-methylpiperazin-1-yl)-3-pyridinyl]amino]pyrrolo[2,3-d]pyrimidine-6-carboxamide;7-cyclopentyl-5-fluoro-N,N-dimethyl-2-[[5-piperazin-1-yl-4-(trifluoromethyl)-2-pyridinyl]amino]pyrrolo[2,3-d]pyrimidine-6-carboxamide;7-cyclopentyl-5-fluoro-N,N-dimethyl-2-[[6-(2-piperidin-1-ylethoxy)-3-pyridinyl]amino]pyrrolo[2,3-d]pyrimidine-6-carboxamide;7-cyclopentyl-5-fluoro-N,N-dimethyl-2-[[6-(2-pyrrolidin-1-ylethoxy)-3-pyridinyl]amino]pyrrolo[2,3-d]pyrimidine-6-carboxamide

2-[4-(4-cyanophenyl)piperazin-1-yl]-7-cyclopentyl-5-fluoro-N,N-dimethylpyrrolo[2,3-d]pyrimidine-6-carboxamide;7-cyclopentyl-N,N-dimethyl-2-[[5-piperazin-1-yl-4-(trifluoromethyl)-2-pyridinyl]amino]pyrrolo[2,3-d]pyrimidine-6-carboxamide;7-cyclopentyl-5-fluoro-N,N-dimethyl-2-[[6-(4-methylpiperazin-1-yl)-3-pyridinyl]amino]pyrrolo[2,3-d]pyrimidine-6-carboxamide;7-cyclopentyl-5-fluoro-N,N-dimethyl-2-[[5-piperazin-1-yl-4-(trifluoromethyl)-2-pyridinyl]amino]pyrrolo[2,3-d]pyrimidine-6-carboxamide;7-cyclopentyl-5-fluoro-N,N-dimethyl-2-[[6-(2-piperidin-1-ylethoxy)-3-pyridinyl]amino]pyrrolo[2,3-d]pyrimidine-6-carboxamide;7-cyclopentyl-5-fluoro-N,N-dimethyl-2-[[6-(2-pyrrolidin-1-ylethoxy)-3-pyridinyl]amino]pyrrolo[2,3-d]pyrimidine-6-carboxamide (PubChem CID 163790513) has the molecular formula C148H182F11N45O8 and a molecular weight of 2928.37 g/mol. Its IUPAC name is 2-[4-(4-cyanophenyl)piperazin-1-yl]-7-cyclopentyl-5-fluoro-N,N-dimethylpyrrolo[2,3-d]pyrimidine-6-carboxamide;7-cyclopentyl-N,N-dimethyl-2-[[5-piperazin-1-yl-4-(trifluoromethyl)-2-pyridinyl]amino]pyrrolo[2,3-d]pyrimidine-6-carboxamide;7-cyclopentyl-5-fluoro-N,N-dimethyl-2-[[6-(4-methylpiperazin-1-yl)-3-pyridinyl]amino]pyrrolo[2,3-d]pyrimidine-6-carboxamide;7-cyclopentyl-5-fluoro-N,N-dimethyl-2-[[5-piperazin-1-yl-4-(trifluoromethyl)-2-pyridinyl]amino]pyrrolo[2,3-d]pyrimidine-6-carboxamide;7-cyclopentyl-5-fluoro-N,N-dimethyl-2-[[6-(2-piperidin-1-ylethoxy)-3-pyridinyl]amino]pyrrolo[2,3-d]pyrimidine-6-carboxamide;7-cyclopentyl-5-fluoro-N,N-dimethyl-2-[[6-(2-pyrrolidin-1-ylethoxy)-3-pyridinyl]amino]pyrrolo[2,3-d]pyrimidine-6-carboxamide.

Molecular Properties

Compound Name2-[4-(4-cyanophenyl)piperazin-1-yl]-7-cyclopentyl-5-fluoro-N,N-dimethylpyrrolo[2,3-d]pyrimidine-6-carboxamide;7-cyclopentyl-N,N-dimethyl-2-[[5-piperazin-1-yl-4-(trifluoromethyl)-2-pyridinyl]amino]pyrrolo[2,3-d]pyrimidine-6-carboxamide;7-cyclopentyl-5-fluoro-N,N-dimethyl-2-[[6-(4-methylpiperazin-1-yl)-3-pyridinyl]amino]pyrrolo[2,3-d]pyrimidine-6-carboxamide;7-cyclopentyl-5-fluoro-N,N-dimethyl-2-[[5-piperazin-1-yl-4-(trifluoromethyl)-2-pyridinyl]amino]pyrrolo[2,3-d]pyrimidine-6-carboxamide;7-cyclopentyl-5-fluoro-N,N-dimethyl-2-[[6-(2-piperidin-1-ylethoxy)-3-pyridinyl]amino]pyrrolo[2,3-d]pyrimidine-6-carboxamide;7-cyclopentyl-5-fluoro-N,N-dimethyl-2-[[6-(2-pyrrolidin-1-ylethoxy)-3-pyridinyl]amino]pyrrolo[2,3-d]pyrimidine-6-carboxamide
PubChem CID163790513
Molecular FormulaC148H182F11N45O8
Molecular Weight2928.37 g/mol
Exact Mass2926.50
IUPAC Name2-[4-(4-cyanophenyl)piperazin-1-yl]-7-cyclopentyl-5-fluoro-N,N-dimethylpyrrolo[2,3-d]pyrimidine-6-carboxamide;7-cyclopentyl-N,N-dimethyl-2-[[5-piperazin-1-yl-4-(trifluoromethyl)-2-pyridinyl]amino]pyrrolo[2,3-d]pyrimidine-6-carboxamide;7-cyclopentyl-5-fluoro-N,N-dimethyl-2-[[6-(4-methylpiperazin-1-yl)-3-pyridinyl]amino]pyrrolo[2,3-d]pyrimidine-6-carboxamide;7-cyclopentyl-5-fluoro-N,N-dimethyl-2-[[5-piperazin-1-yl-4-(trifluoromethyl)-2-pyridinyl]amino]pyrrolo[2,3-d]pyrimidine-6-carboxamide;7-cyclopentyl-5-fluoro-N,N-dimethyl-2-[[6-(2-piperidin-1-ylethoxy)-3-pyridinyl]amino]pyrrolo[2,3-d]pyrimidine-6-carboxamide;7-cyclopentyl-5-fluoro-N,N-dimethyl-2-[[6-(2-pyrrolidin-1-ylethoxy)-3-pyridinyl]amino]pyrrolo[2,3-d]pyrimidine-6-carboxamide
SMILESCN(C)C(=O)c1c(F)c2cnc(N3CCN(c4ccc(C#N)cc4)CC3)nc2n1C1CCCC1.CN(C)C(=O)c1c(F)c2cnc(Nc3cc(C(F)(F)F)c(N4CCNCC4)cn3)nc2n1C1CCCC1.CN(C)C(=O)c1c(F)c2cnc(Nc3ccc(OCCN4CCCC4)nc3)nc2n1C1CCCC1.CN(C)C(=O)c1c(F)c2cnc(Nc3ccc(OCCN4CCCCC4)nc3)nc2n1C1CCCC1.CN(C)C(=O)c1cc2cnc(Nc3cc(C(F)(F)F)c(N4CCNCC4)cn3)nc2n1C1CCCC1.CN1CCN(c2ccc(Nc3ncc4c(F)c(C(=O)N(C)C)n(C5CCCC5)c4n3)cn2)CC1
InChIInChI=1S/C26H34FN7O2.C25H32FN7O2.C25H28FN7O.C24H28F4N8O.C24H29F3N8O.C24H31FN8O/c1-32(2)25(35)23-22(27)20-17-29-26(31-24(20)34(23)19-8-4-5-9-19)30-18-10-11-21(28-16-18)36-15-14-33-12-6-3-7-13-33;1-31(2)24(34)22-21(26)19-16-28-25(30-23(19)33(22)18-7-3-4-8-18)29-17-9-10-20(27-15-17)35-14-13-32-11-5-6-12-32;1-30(2)24(34)22-21(26)20-16-28-25(29-23(20)33(22)19-5-3-4-6-19)32-13-11-31(12-14-32)18-9-7-17(15-27)8-10-18;1-34(2)22(37)20-19(25)15-12-31-23(33-21(15)36(20)14-5-3-4-6-14)32-18-11-16(24(26,27)28)17(13-30-18)35-9-7-29-8-10-35;1-33(2)22(36)18-11-15-13-30-23(32-21(15)35(18)16-5-3-4-6-16)31-20-12-17(24(25,26)27)19(14-29-20)34-9-7-28-8-10-34;1-30(2)23(34)21-20(25)18-15-27-24(29-22(18)33(21)17-6-4-5-7-17)28-16-8-9-19(26-14-16)32-12-10-31(3)11-13-32/h10-11,16-17,19H,3-9,12-15H2,1-2H3,(H,29,30,31);9-10,15-16,18H,3-8,11-14H2,1-2H3,(H,28,29,30);7-10,16,19H,3-6,11-14H2,1-2H3;11-14,29H,3-10H2,1-2H3,(H,30,31,32,33);11-14,16,28H,3-10H2,1-2H3,(H,29,30,31,32);8-9,14-15,17H,4-7,10-13H2,1-3H3,(H,27,28,29)
InChIKeyMWHRMKJQSBFHAY-UHFFFAOYSA-N
XLogP23.02
TPSA522.95 Ų
H-Bond Donors7
H-Bond Acceptors47
Rotatable Bonds35
Heavy Atoms212
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002928.37
LogP ≤ 523.02
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 1047

Analyze 2-[4-(4-cyanophenyl)piperazin-1-yl]-7-cyclopentyl-5-fluoro-N,N-dimethylpyrrolo[2,3-d]pyrimidine-6-carboxamide;7-cyclopentyl-N,N-dimethyl-2-[[5-piperazin-1-yl-4-(trifluoromethyl)-2-pyridinyl]amino]pyrrolo[2,3-d]pyrimidine-6-carboxamide;7-cyclopentyl-5-fluoro-N,N-dimethyl-2-[[6-(4-methylpiperazin-1-yl)-3-pyridinyl]amino]pyrrolo[2,3-d]pyrimidine-6-carboxamide;7-cyclopentyl-5-fluoro-N,N-dimethyl-2-[[5-piperazin-1-yl-4-(trifluoromethyl)-2-pyridinyl]amino]pyrrolo[2,3-d]pyrimidine-6-carboxamide;7-cyclopentyl-5-fluoro-N,N-dimethyl-2-[[6-(2-piperidin-1-ylethoxy)-3-pyridinyl]amino]pyrrolo[2,3-d]pyrimidine-6-carboxamide;7-cyclopentyl-5-fluoro-N,N-dimethyl-2-[[6-(2-pyrrolidin-1-ylethoxy)-3-pyridinyl]amino]pyrrolo[2,3-d]pyrimidine-6-carboxamide with MolForge

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Launch Full Analysis

Related Compounds

1-[(5-cyano-2-methoxy-3-pyridinyl)methyl]-N-propylpyrrolo[3,2-b]pyridine-3-carboxamide;1-[1-[[5-(1,1-difluoroethyl)-2-methoxy-3-pyridinyl]methyl]pyrrolo[3,2-b]pyridin-3-yl]-4-fluorobutan-1-one;N-(2-methoxyethyl)-1-[(6-methoxy-5-methylpyrimidin-4-yl)methyl]-6-methylpyrrolo[3,2-b]pyridine-3-carboxamide;1-[[3-methyl-4-(2,2,2-trifluoroethoxy)-2-pyridinyl]methyl]-N-propylpyrrolo[3,2-b]pyridine-3-carboxamide
CID 157593034
ethyl 4-[4-(4-fluorophenyl)-5-(1H-pyrrolo[2,3-b]pyridin-4-yl)imidazol-1-yl]piperidine-1-carboxylate;4-[5-(4-fluorophenyl)-3-(furan-2-ylmethyl)imidazol-4-yl]-1H-pyrrolo[2,3-b]pyridine;4-[5-(4-fluorophenyl)-3-(furan-3-ylmethyl)imidazol-4-yl]-1H-pyrrolo[2,3-b]pyridine;4-[4-(4-fluorophenyl)-5-(1H-pyrrolo[2,3-b]pyridin-4-yl)imidazol-1-yl]-N,N-dimethylcyclohexan-1-amine;4-[5-(4-fluorophenyl)-3-[3-(trifluoromethoxy)propyl]imidazol-4-yl]-1H-pyrrolo[2,3-b]pyridine
CID 158403835
2-[[(1R)-1-[4-[2-(dimethylamino)ethyl-methylamino]phenyl]ethyl]amino]-4-[5-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]pyrimidine-5-carbonitrile;2-[[(1R)-1-(2-methoxypyrimidin-5-yl)ethyl]amino]-4-[5-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]pyrimidine-5-carbonitrile;2-[[(1S)-1-[6-[(3R)-1-methylpyrrolidin-3-yl]oxy-3-pyridinyl]ethyl]amino]-4-[5-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]pyrimidine-5-carbonitrile;2-[[(1R)-1-(2-oxo-1H-pyrimidin-5-yl)ethyl]amino]-4-[5-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]pyrimidine-5-carbonitrile
CID 159928608
CID 161406592
CID 161406592
2-[[5-(4-cyanopiperazin-1-yl)-2-pyridinyl]amino]-7-cyclopentyl-5-fluoro-N,N-dimethylpyrrolo[2,3-d]pyrimidine-6-carboxamide;7-cyclopentyl-5-fluoro-N,N-dimethyl-2-[[5-(4-methylpiperazin-1-yl)-2-pyridinyl]amino]pyrrolo[2,3-d]pyrimidine-6-carboxamide;7-cyclopentyl-5-fluoro-N,N-dimethyl-2-[[5-(4-methylpiperazin-1-yl)-4-(trifluoromethyl)-2-pyridinyl]amino]pyrrolo[2,3-d]pyrimidine-6-carboxamide;7-cyclopentyl-5-fluoro-N,N-dimethyl-2-[(5-piperazin-1-yl-2-pyridinyl)amino]pyrrolo[2,3-d]pyrimidine-6-carboxamide;7-cyclopentyl-5-fluoro-N,N-dimethyl-2-[[5-(1-propan-2-yl-3,6-dihydro-2H-pyridin-4-yl)-2-pyridinyl]amino]pyrrolo[2,3-d]pyrimidine-6-carboxamide;7-cyclopentyl-5-fluoro-2-[(4-fluoro-5-morpholin-4-yl-2-pyridinyl)amino]-N,N-dimethylpyrrolo[2,3-d]pyrimidine-6-carboxamide
CID 164106726
8-Cyclopentyl-2-[[6-[2-(dimethylamino)ethoxy]-3-pyridinyl]amino]-7-oxopyrido[2,3-d]pyrimidine-6-carbonitrile;8-cyclopentyl-7-oxo-2-[[5-piperazin-1-yl-4-(trifluoromethyl)-2-pyridinyl]amino]pyrido[2,3-d]pyrimidine-6-carbonitrile;8-cyclopentyl-7-oxo-2-[[5-(2-piperidin-1-ylethoxy)-2-pyridinyl]amino]pyrido[2,3-d]pyrimidine-6-carbonitrile;8-cyclopentyl-7-oxo-2-[[6-(2-piperidin-1-ylethoxy)-3-pyridinyl]amino]pyrido[2,3-d]pyrimidine-6-carbonitrile;8-cyclopentyl-7-oxo-2-[[5-(2-pyrrolidin-1-ylethoxy)-2-pyridinyl]amino]pyrido[2,3-d]pyrimidine-6-carbonitrile;8-cyclopentyl-7-oxo-2-[[5-(1,2,3,6-tetrahydropyridin-4-yl)-2-pyridinyl]amino]pyrido[2,3-d]pyrimidine-6-carbonitrile
CID 165002015
8-Cyclopentyl-2-[[5-[2-(dimethylamino)ethoxy]-2-pyridinyl]amino]-7-oxopyrido[2,3-d]pyrimidine-6-carbonitrile;8-cyclopentyl-7-oxo-2-[[5-piperazin-1-yl-4-(trifluoromethyl)-2-pyridinyl]amino]pyrido[2,3-d]pyrimidine-6-carbonitrile;8-cyclopentyl-7-oxo-2-[[6-(2-piperidin-1-ylethoxy)-3-pyridinyl]amino]pyrido[2,3-d]pyrimidine-6-carbonitrile;8-cyclopentyl-7-oxo-2-[[5-(2-pyrrolidin-1-ylethoxy)-2-pyridinyl]amino]pyrido[2,3-d]pyrimidine-6-carbonitrile;8-cyclopentyl-7-oxo-2-[[5-(1,2,3,6-tetrahydropyridin-4-yl)-2-pyridinyl]amino]pyrido[2,3-d]pyrimidine-6-carbonitrile
CID 165092127
4-[[5-[5-[9-[1-(2,2-Dimethylpropyl)piperidin-4-yl]-6-methyl-8-oxo-2-[[5-(trifluoromethoxy)-2-pyridinyl]amino]purin-7-yl]pyridine-2-carbonyl]-5,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),10,12-tetraen-8-yl]methyl]-3-fluorobenzonitrile
CID 171068397
6-[(3S)-3-aminopiperidin-1-yl]-3-(2-ethoxyethyl)-1-methyl-5-(3-methylbut-2-enyl)-2,4-dioxopyrrolo[3,2-d]pyrimidine-7-carbonitrile;6-[(3S)-3-aminopiperidin-1-yl]-1-methyl-5-(3-methylbut-2-enyl)-2,4-dioxo-3-(pyridin-2-ylmethyl)pyrrolo[3,2-d]pyrimidine-7-carbonitrile;6-[(3S)-3-aminopiperidin-1-yl]-1-methyl-5-(3-methylbut-2-enyl)-2,4-dioxo-3-(pyridin-4-ylmethyl)pyrrolo[3,2-d]pyrimidine-7-carbonitrile;6-[(3S)-3-aminopiperidin-1-yl]-1-methyl-5-(3-methylbut-2-enyl)-2,4-dioxo-3-(pyrimidin-4-ylmethyl)pyrrolo[3,2-d]pyrimidine-7-carbonitrile;6-[(3S)-3-aminopiperidin-1-yl]-1-methyl-5-(3-methylbut-2-enyl)-3-([1,3]oxazolo[4,5-b]pyridin-2-ylmethyl)-2,4-dioxopyrrolo[3,2-d]pyrimidine-7-carbonitrile
CID 157190312
N-cyclopentyl-4-[(7-pentan-3-ylpyrrolo[2,3-d]pyrimidin-2-yl)amino]benzamide;N-[3-(2-imidazol-1-ylethoxy)phenyl]-7-pentan-3-ylpyrrolo[2,3-d]pyrimidin-2-amine;morpholin-4-yl-[4-[(7-pentan-3-ylpyrrolo[2,3-d]pyrimidin-2-yl)amino]phenyl]methanone;3-oxo-3-[3-[4-[(7-pentan-3-ylpyrrolo[2,3-d]pyrimidin-2-yl)amino]phenyl]piperidin-1-yl]propanenitrile;1-[3-[4-[(7-pentan-3-ylpyrrolo[2,3-d]pyrimidin-2-yl)amino]phenyl]piperidin-1-yl]ethanone
CID 157837840
[2-(5-Fluoropyrimidin-2-yl)-5-methyl-3-pyridinyl]-[6-[(5-methylpyrazin-2-yl)amino]-2-azabicyclo[2.2.1]heptan-2-yl]methanone;[2-(5-fluoropyrimidin-2-yl)-6-methyl-3-pyridinyl]-[6-[(5-methylpyrazin-2-yl)amino]-2-azabicyclo[2.2.1]heptan-2-yl]methanone;[2-(5-fluoropyrimidin-2-yl)-3-pyridinyl]-[6-[(5-methylpyrazin-2-yl)amino]-2-azabicyclo[2.2.1]heptan-2-yl]methanone;[6-[(5-methyl-2-pyridinyl)oxy]-2-azabicyclo[2.2.1]heptan-2-yl]-(2-methyl-4-pyrimidin-2-yl-3-pyridinyl)methanone
CID 159428503
6-[(3S)-3-aminopiperidin-1-yl]-3-(2-ethoxyethyl)-1-methyl-5-(3-methylbut-2-enyl)-2,4-dioxopyrrolo[3,2-d]pyrimidine-7-carbonitrile;6-[(3S)-3-aminopiperidin-1-yl]-1-methyl-5-(3-methylbut-2-enyl)-2,4-dioxo-3-(pyridazin-3-ylmethyl)pyrrolo[3,2-d]pyrimidine-7-carbonitrile;6-[(3S)-3-aminopiperidin-1-yl]-1-methyl-5-(3-methylbut-2-enyl)-2,4-dioxo-3-(pyridin-2-ylmethyl)pyrrolo[3,2-d]pyrimidine-7-carbonitrile;6-[(3S)-3-aminopiperidin-1-yl]-1-methyl-5-(3-methylbut-2-enyl)-2,4-dioxo-3-(pyridin-4-ylmethyl)pyrrolo[3,2-d]pyrimidine-7-carbonitrile;6-[(3S)-3-aminopiperidin-1-yl]-1-methyl-5-(3-methylbut-2-enyl)-2,4-dioxo-3-(pyrimidin-4-ylmethyl)pyrrolo[3,2-d]pyrimidine-7-carbonitrile;6-[(3S)-3-aminopiperidin-1-yl]-1-methyl-5-(3-methylbut-2-enyl)-3-([1,3]oxazolo[4,5-b]pyridin-2-ylmethyl)-2,4-dioxopyrrolo[3,2-d]pyrimidine-7-carbonitrile
CID 159712968

Frequently Asked Questions

What is the IUPAC name of 2-[4-(4-cyanophenyl)piperazin-1-yl]-7-cyclopentyl-5-fluoro-N,N-dimethylpyrrolo[2,3-d]pyrimidine-6-carboxamide;7-cyclopentyl-N,N-dimethyl-2-[[5-piperazin-1-yl-4-(trifluoromethyl)-2-pyridinyl]amino]pyrrolo[2,3-d]pyrimidine-6-carboxamide;7-cyclopentyl-5-fluoro-N,N-dimethyl-2-[[6-(4-methylpiperazin-1-yl)-3-pyridinyl]amino]pyrrolo[2,3-d]pyrimidine-6-carboxamide;7-cyclopentyl-5-fluoro-N,N-dimethyl-2-[[5-piperazin-1-yl-4-(trifluoromethyl)-2-pyridinyl]amino]pyrrolo[2,3-d]pyrimidine-6-carboxamide;7-cyclopentyl-5-fluoro-N,N-dimethyl-2-[[6-(2-piperidin-1-ylethoxy)-3-pyridinyl]amino]pyrrolo[2,3-d]pyrimidine-6-carboxamide;7-cyclopentyl-5-fluoro-N,N-dimethyl-2-[[6-(2-pyrrolidin-1-ylethoxy)-3-pyridinyl]amino]pyrrolo[2,3-d]pyrimidine-6-carboxamide?
The IUPAC name of 2-[4-(4-cyanophenyl)piperazin-1-yl]-7-cyclopentyl-5-fluoro-N,N-dimethylpyrrolo[2,3-d]pyrimidine-6-carboxamide;7-cyclopentyl-N,N-dimethyl-2-[[5-piperazin-1-yl-4-(trifluoromethyl)-2-pyridinyl]amino]pyrrolo[2,3-d]pyrimidine-6-carboxamide;7-cyclopentyl-5-fluoro-N,N-dimethyl-2-[[6-(4-methylpiperazin-1-yl)-3-pyridinyl]amino]pyrrolo[2,3-d]pyrimidine-6-carboxamide;7-cyclopentyl-5-fluoro-N,N-dimethyl-2-[[5-piperazin-1-yl-4-(trifluoromethyl)-2-pyridinyl]amino]pyrrolo[2,3-d]pyrimidine-6-carboxamide;7-cyclopentyl-5-fluoro-N,N-dimethyl-2-[[6-(2-piperidin-1-ylethoxy)-3-pyridinyl]amino]pyrrolo[2,3-d]pyrimidine-6-carboxamide;7-cyclopentyl-5-fluoro-N,N-dimethyl-2-[[6-(2-pyrrolidin-1-ylethoxy)-3-pyridinyl]amino]pyrrolo[2,3-d]pyrimidine-6-carboxamide (CID 163790513) is 2-[4-(4-cyanophenyl)piperazin-1-yl]-7-cyclopentyl-5-fluoro-N,N-dimethylpyrrolo[2,3-d]pyrimidine-6-carboxamide;7-cyclopentyl-N,N-dimethyl-2-[[5-piperazin-1-yl-4-(trifluoromethyl)-2-pyridinyl]amino]pyrrolo[2,3-d]pyrimidine-6-carboxamide;7-cyclopentyl-5-fluoro-N,N-dimethyl-2-[[6-(4-methylpiperazin-1-yl)-3-pyridinyl]amino]pyrrolo[2,3-d]pyrimidine-6-carboxamide;7-cyclopentyl-5-fluoro-N,N-dimethyl-2-[[5-piperazin-1-yl-4-(trifluoromethyl)-2-pyridinyl]amino]pyrrolo[2,3-d]pyrimidine-6-carboxamide;7-cyclopentyl-5-fluoro-N,N-dimethyl-2-[[6-(2-piperidin-1-ylethoxy)-3-pyridinyl]amino]pyrrolo[2,3-d]pyrimidine-6-carboxamide;7-cyclopentyl-5-fluoro-N,N-dimethyl-2-[[6-(2-pyrrolidin-1-ylethoxy)-3-pyridinyl]amino]pyrrolo[2,3-d]pyrimidine-6-carboxamide.
What is the SMILES notation for 2-[4-(4-cyanophenyl)piperazin-1-yl]-7-cyclopentyl-5-fluoro-N,N-dimethylpyrrolo[2,3-d]pyrimidine-6-carboxamide;7-cyclopentyl-N,N-dimethyl-2-[[5-piperazin-1-yl-4-(trifluoromethyl)-2-pyridinyl]amino]pyrrolo[2,3-d]pyrimidine-6-carboxamide;7-cyclopentyl-5-fluoro-N,N-dimethyl-2-[[6-(4-methylpiperazin-1-yl)-3-pyridinyl]amino]pyrrolo[2,3-d]pyrimidine-6-carboxamide;7-cyclopentyl-5-fluoro-N,N-dimethyl-2-[[5-piperazin-1-yl-4-(trifluoromethyl)-2-pyridinyl]amino]pyrrolo[2,3-d]pyrimidine-6-carboxamide;7-cyclopentyl-5-fluoro-N,N-dimethyl-2-[[6-(2-piperidin-1-ylethoxy)-3-pyridinyl]amino]pyrrolo[2,3-d]pyrimidine-6-carboxamide;7-cyclopentyl-5-fluoro-N,N-dimethyl-2-[[6-(2-pyrrolidin-1-ylethoxy)-3-pyridinyl]amino]pyrrolo[2,3-d]pyrimidine-6-carboxamide?
The canonical SMILES for 2-[4-(4-cyanophenyl)piperazin-1-yl]-7-cyclopentyl-5-fluoro-N,N-dimethylpyrrolo[2,3-d]pyrimidine-6-carboxamide;7-cyclopentyl-N,N-dimethyl-2-[[5-piperazin-1-yl-4-(trifluoromethyl)-2-pyridinyl]amino]pyrrolo[2,3-d]pyrimidine-6-carboxamide;7-cyclopentyl-5-fluoro-N,N-dimethyl-2-[[6-(4-methylpiperazin-1-yl)-3-pyridinyl]amino]pyrrolo[2,3-d]pyrimidine-6-carboxamide;7-cyclopentyl-5-fluoro-N,N-dimethyl-2-[[5-piperazin-1-yl-4-(trifluoromethyl)-2-pyridinyl]amino]pyrrolo[2,3-d]pyrimidine-6-carboxamide;7-cyclopentyl-5-fluoro-N,N-dimethyl-2-[[6-(2-piperidin-1-ylethoxy)-3-pyridinyl]amino]pyrrolo[2,3-d]pyrimidine-6-carboxamide;7-cyclopentyl-5-fluoro-N,N-dimethyl-2-[[6-(2-pyrrolidin-1-ylethoxy)-3-pyridinyl]amino]pyrrolo[2,3-d]pyrimidine-6-carboxamide is CN(C)C(=O)c1c(F)c2cnc(N3CCN(c4ccc(C#N)cc4)CC3)nc2n1C1CCCC1.CN(C)C(=O)c1c(F)c2cnc(Nc3cc(C(F)(F)F)c(N4CCNCC4)cn3)nc2n1C1CCCC1.CN(C)C(=O)c1c(F)c2cnc(Nc3ccc(OCCN4CCCC4)nc3)nc2n1C1CCCC1.CN(C)C(=O)c1c(F)c2cnc(Nc3ccc(OCCN4CCCCC4)nc3)nc2n1C1CCCC1.CN(C)C(=O)c1cc2cnc(Nc3cc(C(F)(F)F)c(N4CCNCC4)cn3)nc2n1C1CCCC1.CN1CCN(c2ccc(Nc3ncc4c(F)c(C(=O)N(C)C)n(C5CCCC5)c4n3)cn2)CC1.
What is the InChIKey of 2-[4-(4-cyanophenyl)piperazin-1-yl]-7-cyclopentyl-5-fluoro-N,N-dimethylpyrrolo[2,3-d]pyrimidine-6-carboxamide;7-cyclopentyl-N,N-dimethyl-2-[[5-piperazin-1-yl-4-(trifluoromethyl)-2-pyridinyl]amino]pyrrolo[2,3-d]pyrimidine-6-carboxamide;7-cyclopentyl-5-fluoro-N,N-dimethyl-2-[[6-(4-methylpiperazin-1-yl)-3-pyridinyl]amino]pyrrolo[2,3-d]pyrimidine-6-carboxamide;7-cyclopentyl-5-fluoro-N,N-dimethyl-2-[[5-piperazin-1-yl-4-(trifluoromethyl)-2-pyridinyl]amino]pyrrolo[2,3-d]pyrimidine-6-carboxamide;7-cyclopentyl-5-fluoro-N,N-dimethyl-2-[[6-(2-piperidin-1-ylethoxy)-3-pyridinyl]amino]pyrrolo[2,3-d]pyrimidine-6-carboxamide;7-cyclopentyl-5-fluoro-N,N-dimethyl-2-[[6-(2-pyrrolidin-1-ylethoxy)-3-pyridinyl]amino]pyrrolo[2,3-d]pyrimidine-6-carboxamide?
The InChIKey is MWHRMKJQSBFHAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H34FN7O2.C25H32FN7O2.C25H28FN7O.C24H28F4N8O.C24H29F3N8O.C24H31FN8O/c1-32(2)25(35)23-22(27)20-17-29-26(31-24(20)34(23)19-8-4-5-9-19)30-18-10-11-21(28-16-18)36-15-14-33-12-6-3-7-13-33;1-31(2)24(34)22-21(26)19-16-28-25(30-23(19)33(22)18-7-3-4-8-18)29-17-9-10-20(27-15-17)35-14-13-32-11-5-6-12-32;1-30(2)24(34)22-21(26)20-16-28-25(29-23(20)33(22)19-5-3-4-6-19)32-13-11-31(12-14-32)18-9-7-17(15-27)8-10-18;1-34(2)22(37)20-19(25)15-12-31-23(33-21(15)36(20)14-5-3-4-6-14)32-18-11-16(24(26,27)28)17(13-30-18)35-9-7-29-8-10-35;1-33(2)22(36)18-11-15-13-30-23(32-21(15)35(18)16-5-3-4-6-16)31-20-12-17(24(25,26)27)19(14-29-20)34-9-7-28-8-10-34;1-30(2)23(34)21-20(25)18-15-27-24(29-22(18)33(21)17-6-4-5-7-17)28-16-8-9-19(26-14-16)32-12-10-31(3)11-13-32/h10-11,16-17,19H,3-9,12-15H2,1-2H3,(H,29,30,31);9-10,15-16,18H,3-8,11-14H2,1-2H3,(H,28,29,30);7-10,16,19H,3-6,11-14H2,1-2H3;11-14,29H,3-10H2,1-2H3,(H,30,31,32,33);11-14,16,28H,3-10H2,1-2H3,(H,29,30,31,32);8-9,14-15,17H,4-7,10-13H2,1-3H3,(H,27,28,29).
What are the key properties of 2-[4-(4-cyanophenyl)piperazin-1-yl]-7-cyclopentyl-5-fluoro-N,N-dimethylpyrrolo[2,3-d]pyrimidine-6-carboxamide;7-cyclopentyl-N,N-dimethyl-2-[[5-piperazin-1-yl-4-(trifluoromethyl)-2-pyridinyl]amino]pyrrolo[2,3-d]pyrimidine-6-carboxamide;7-cyclopentyl-5-fluoro-N,N-dimethyl-2-[[6-(4-methylpiperazin-1-yl)-3-pyridinyl]amino]pyrrolo[2,3-d]pyrimidine-6-carboxamide;7-cyclopentyl-5-fluoro-N,N-dimethyl-2-[[5-piperazin-1-yl-4-(trifluoromethyl)-2-pyridinyl]amino]pyrrolo[2,3-d]pyrimidine-6-carboxamide;7-cyclopentyl-5-fluoro-N,N-dimethyl-2-[[6-(2-piperidin-1-ylethoxy)-3-pyridinyl]amino]pyrrolo[2,3-d]pyrimidine-6-carboxamide;7-cyclopentyl-5-fluoro-N,N-dimethyl-2-[[6-(2-pyrrolidin-1-ylethoxy)-3-pyridinyl]amino]pyrrolo[2,3-d]pyrimidine-6-carboxamide?
2-[4-(4-cyanophenyl)piperazin-1-yl]-7-cyclopentyl-5-fluoro-N,N-dimethylpyrrolo[2,3-d]pyrimidine-6-carboxamide;7-cyclopentyl-N,N-dimethyl-2-[[5-piperazin-1-yl-4-(trifluoromethyl)-2-pyridinyl]amino]pyrrolo[2,3-d]pyrimidine-6-carboxamide;7-cyclopentyl-5-fluoro-N,N-dimethyl-2-[[6-(4-methylpiperazin-1-yl)-3-pyridinyl]amino]pyrrolo[2,3-d]pyrimidine-6-carboxamide;7-cyclopentyl-5-fluoro-N,N-dimethyl-2-[[5-piperazin-1-yl-4-(trifluoromethyl)-2-pyridinyl]amino]pyrrolo[2,3-d]pyrimidine-6-carboxamide;7-cyclopentyl-5-fluoro-N,N-dimethyl-2-[[6-(2-piperidin-1-ylethoxy)-3-pyridinyl]amino]pyrrolo[2,3-d]pyrimidine-6-carboxamide;7-cyclopentyl-5-fluoro-N,N-dimethyl-2-[[6-(2-pyrrolidin-1-ylethoxy)-3-pyridinyl]amino]pyrrolo[2,3-d]pyrimidine-6-carboxamide has a molecular weight of 2928.37 g/mol, XLogP of 23.02, 35 rotatable bonds, 7 hydrogen bond donors, and 47 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(4-cyanophenyl)piperazin-1-yl]-7-cyclopentyl-5-fluoro-N,N-dimethylpyrrolo[2,3-d]pyrimidine-6-carboxamide;7-cyclopentyl-N,N-dimethyl-2-[[5-piperazin-1-yl-4-(trifluoromethyl)-2-pyridinyl]amino]pyrrolo[2,3-d]pyrimidine-6-carboxamide;7-cyclopentyl-5-fluoro-N,N-dimethyl-2-[[6-(4-methylpiperazin-1-yl)-3-pyridinyl]amino]pyrrolo[2,3-d]pyrimidine-6-carboxamide;7-cyclopentyl-5-fluoro-N,N-dimethyl-2-[[5-piperazin-1-yl-4-(trifluoromethyl)-2-pyridinyl]amino]pyrrolo[2,3-d]pyrimidine-6-carboxamide;7-cyclopentyl-5-fluoro-N,N-dimethyl-2-[[6-(2-piperidin-1-ylethoxy)-3-pyridinyl]amino]pyrrolo[2,3-d]pyrimidine-6-carboxamide;7-cyclopentyl-5-fluoro-N,N-dimethyl-2-[[6-(2-pyrrolidin-1-ylethoxy)-3-pyridinyl]amino]pyrrolo[2,3-d]pyrimidine-6-carboxamide is sourced from PubChem (CID 163790513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).