1-cyclopentyl-4-[[[5-fluoro-6-[2-[4-(trifluoromethyl)phenyl]pyrrolidin-1-yl]pyrimidin-4-yl]amino]methyl]pyrrolidin-2-one;6-[2-[4-(1,1-difluoroethyl)phenyl]pyrrolidin-1-yl]-5-fluoro-N-[3-methyl-1-(2H-tetrazol-5-yl)butyl]pyrimidin-4-amine;2-[4-[2-[6-[2-[4-(1,1-difluoroethyl)phenyl]pyrrolidin-1-yl]-5-fluoropyrimidin-4-yl]ethyl]phenyl]ethanol;1-[[4-[2-[6-[2-[4-(1,1-difluoroethyl)phenyl]pyrrolidin-1-yl]-5-fluoropyrimidin-4-yl]ethyl]phenyl]methyl]pyrrolidin-2-one;4-[2-[4-(1,1-difluoroethyl)phenyl]pyrrolidin-1-yl]-5-fluoro-6-[2-[6-(trifluoromethyl)-3-pyridinyl]ethyl]pyrimidine;5-fluoro-N-[(4-methyloxan-4-yl)methyl]-6-[2-[4-(trifluoromethyl)phenyl]pyrrolidin-1-yl]pyrimidin-4-amine

C148H163F23N28O4 — CID 159140916

IUPAC1-cyclopentyl-4-[[[5-fluoro-6-[2-[4-(trifluoromethyl)phenyl]pyrrolidin-1-yl]pyrimidin-4-yl]amino]methyl]pyrrolidin-2-one;6-[2-[4-(1,1-difluoroethyl)phenyl]pyrrolidin-1-yl]-5-fluoro-N-[3-methyl-1-(2H-tetrazol-5-yl)butyl]pyrimidin-4-amine;2-[4-[2-[6-[2-[4-(1,1-difluoroethyl)phenyl]pyrrolidin-1-yl]-5-fluoropyrimidin-4-yl]ethyl]phenyl]ethanol;1-[[4-[2-[6-[2-[4-(1,1-difluoroethyl)phenyl]pyrrolidin-1-yl]-5-fluoropyrimidin-4-yl]ethyl]phenyl]methyl]pyrrolidin-2-one;4-[2-[4-(1,1-difluoroethyl)phenyl]pyrrolidin-1-yl]-5-fluoro-6-[2-[6-(trifluoromethyl)-3-pyridinyl]ethyl]pyrimidine;5-fluoro-N-[(4-methyloxan-4-yl)methyl]-6-[2-[4-(trifluoromethyl)phenyl]pyrrolidin-1-yl]pyrimidin-4-amine
SMILESCC(C)CC(Nc1ncnc(N2CCCC2c2ccc(C(C)(F)F)cc2)c1F)c1nn[nH]n1.CC(F)(F)c1ccc(C2CCCN2c2ncnc(CCc3ccc(C(F)(F)F)nc3)c2F)cc1.CC(F)(F)c1ccc(C2CCCN2c2ncnc(CCc3ccc(CCO)cc3)c2F)cc1.CC(F)(F)c1ccc(C2CCCN2c2ncnc(CCc3ccc(CN4CCCC4=O)cc3)c2F)cc1.CC1(CNc2ncnc(N3CCCC3c3ccc(C(F)(F)F)cc3)c2F)CCOCC1.O=C1CC(CNc2ncnc(N3CCCC3c3ccc(C(F)(F)F)cc3)c2F)CN1C1CCCC1
InChIInChI=1S/C29H31F3N4O.C26H28F3N3O.C25H29F4N5O.C24H22F6N4.C22H26F4N4O.C22H27F3N8/c1-29(31,32)23-13-11-22(12-14-23)25-4-2-17-36(25)28-27(30)24(33-19-34-28)15-10-20-6-8-21(9-7-20)18-35-16-3-5-26(35)37;1-26(28,29)21-11-9-20(10-12-21)23-3-2-15-32(23)25-24(27)22(30-17-31-25)13-8-18-4-6-19(7-5-18)14-16-33;26-22-23(30-13-16-12-21(35)34(14-16)19-4-1-2-5-19)31-15-32-24(22)33-11-3-6-20(33)17-7-9-18(10-8-17)25(27,28)29;1-23(26,27)17-8-6-16(7-9-17)19-3-2-12-34(19)22-21(25)18(32-14-33-22)10-4-15-5-11-20(31-13-15)24(28,29)30;1-21(8-11-31-12-9-21)13-27-19-18(23)20(29-14-28-19)30-10-2-3-17(30)15-4-6-16(7-5-15)22(24,25)26;1-13(2)11-16(19-29-31-32-30-19)28-20-18(23)21(27-12-26-20)33-10-4-5-17(33)14-6-8-15(9-7-14)22(3,24)25/h6-9,11-14,19,25H,2-5,10,15-18H2,1H3;4-7,9-12,17,23,33H,2-3,8,13-16H2,1H3;7-10,15-16,19-20H,1-6,11-14H2,(H,30,31,32);5-9,11,13-14,19H,2-4,10,12H2,1H3;4-7,14,17H,2-3,8-13H2,1H3,(H,27,28,29);6-9,12-13,16-17H,4-5,10-11H2,1-3H3,(H,26,27,28)(H,29,30,31,32)
InChIKeyKIBUECIKVXQJPQ-UHFFFAOYSA-N
MW2835.08 g/mol
LogP32.80
Rot. Bonds41

About 1-cyclopentyl-4-[[[5-fluoro-6-[2-[4-(trifluoromethyl)phenyl]pyrrolidin-1-yl]pyrimidin-4-yl]amino]methyl]pyrrolidin-2-one;6-[2-[4-(1,1-difluoroethyl)phenyl]pyrrolidin-1-yl]-5-fluoro-N-[3-methyl-1-(2H-tetrazol-5-yl)butyl]pyrimidin-4-amine;2-[4-[2-[6-[2-[4-(1,1-difluoroethyl)phenyl]pyrrolidin-1-yl]-5-fluoropyrimidin-4-yl]ethyl]phenyl]ethanol;1-[[4-[2-[6-[2-[4-(1,1-difluoroethyl)phenyl]pyrrolidin-1-yl]-5-fluoropyrimidin-4-yl]ethyl]phenyl]methyl]pyrrolidin-2-one;4-[2-[4-(1,1-difluoroethyl)phenyl]pyrrolidin-1-yl]-5-fluoro-6-[2-[6-(trifluoromethyl)-3-pyridinyl]ethyl]pyrimidine;5-fluoro-N-[(4-methyloxan-4-yl)methyl]-6-[2-[4-(trifluoromethyl)phenyl]pyrrolidin-1-yl]pyrimidin-4-amine

1-cyclopentyl-4-[[[5-fluoro-6-[2-[4-(trifluoromethyl)phenyl]pyrrolidin-1-yl]pyrimidin-4-yl]amino]methyl]pyrrolidin-2-one;6-[2-[4-(1,1-difluoroethyl)phenyl]pyrrolidin-1-yl]-5-fluoro-N-[3-methyl-1-(2H-tetrazol-5-yl)butyl]pyrimidin-4-amine;2-[4-[2-[6-[2-[4-(1,1-difluoroethyl)phenyl]pyrrolidin-1-yl]-5-fluoropyrimidin-4-yl]ethyl]phenyl]ethanol;1-[[4-[2-[6-[2-[4-(1,1-difluoroethyl)phenyl]pyrrolidin-1-yl]-5-fluoropyrimidin-4-yl]ethyl]phenyl]methyl]pyrrolidin-2-one;4-[2-[4-(1,1-difluoroethyl)phenyl]pyrrolidin-1-yl]-5-fluoro-6-[2-[6-(trifluoromethyl)-3-pyridinyl]ethyl]pyrimidine;5-fluoro-N-[(4-methyloxan-4-yl)methyl]-6-[2-[4-(trifluoromethyl)phenyl]pyrrolidin-1-yl]pyrimidin-4-amine (PubChem CID 159140916) has the molecular formula C148H163F23N28O4 and a molecular weight of 2835.08 g/mol. Its IUPAC name is 1-cyclopentyl-4-[[[5-fluoro-6-[2-[4-(trifluoromethyl)phenyl]pyrrolidin-1-yl]pyrimidin-4-yl]amino]methyl]pyrrolidin-2-one;6-[2-[4-(1,1-difluoroethyl)phenyl]pyrrolidin-1-yl]-5-fluoro-N-[3-methyl-1-(2H-tetrazol-5-yl)butyl]pyrimidin-4-amine;2-[4-[2-[6-[2-[4-(1,1-difluoroethyl)phenyl]pyrrolidin-1-yl]-5-fluoropyrimidin-4-yl]ethyl]phenyl]ethanol;1-[[4-[2-[6-[2-[4-(1,1-difluoroethyl)phenyl]pyrrolidin-1-yl]-5-fluoropyrimidin-4-yl]ethyl]phenyl]methyl]pyrrolidin-2-one;4-[2-[4-(1,1-difluoroethyl)phenyl]pyrrolidin-1-yl]-5-fluoro-6-[2-[6-(trifluoromethyl)-3-pyridinyl]ethyl]pyrimidine;5-fluoro-N-[(4-methyloxan-4-yl)methyl]-6-[2-[4-(trifluoromethyl)phenyl]pyrrolidin-1-yl]pyrimidin-4-amine.

Molecular Properties

Compound Name1-cyclopentyl-4-[[[5-fluoro-6-[2-[4-(trifluoromethyl)phenyl]pyrrolidin-1-yl]pyrimidin-4-yl]amino]methyl]pyrrolidin-2-one;6-[2-[4-(1,1-difluoroethyl)phenyl]pyrrolidin-1-yl]-5-fluoro-N-[3-methyl-1-(2H-tetrazol-5-yl)butyl]pyrimidin-4-amine;2-[4-[2-[6-[2-[4-(1,1-difluoroethyl)phenyl]pyrrolidin-1-yl]-5-fluoropyrimidin-4-yl]ethyl]phenyl]ethanol;1-[[4-[2-[6-[2-[4-(1,1-difluoroethyl)phenyl]pyrrolidin-1-yl]-5-fluoropyrimidin-4-yl]ethyl]phenyl]methyl]pyrrolidin-2-one;4-[2-[4-(1,1-difluoroethyl)phenyl]pyrrolidin-1-yl]-5-fluoro-6-[2-[6-(trifluoromethyl)-3-pyridinyl]ethyl]pyrimidine;5-fluoro-N-[(4-methyloxan-4-yl)methyl]-6-[2-[4-(trifluoromethyl)phenyl]pyrrolidin-1-yl]pyrimidin-4-amine
PubChem CID159140916
Molecular FormulaC148H163F23N28O4
Molecular Weight2835.08 g/mol
Exact Mass2833.30
IUPAC Name1-cyclopentyl-4-[[[5-fluoro-6-[2-[4-(trifluoromethyl)phenyl]pyrrolidin-1-yl]pyrimidin-4-yl]amino]methyl]pyrrolidin-2-one;6-[2-[4-(1,1-difluoroethyl)phenyl]pyrrolidin-1-yl]-5-fluoro-N-[3-methyl-1-(2H-tetrazol-5-yl)butyl]pyrimidin-4-amine;2-[4-[2-[6-[2-[4-(1,1-difluoroethyl)phenyl]pyrrolidin-1-yl]-5-fluoropyrimidin-4-yl]ethyl]phenyl]ethanol;1-[[4-[2-[6-[2-[4-(1,1-difluoroethyl)phenyl]pyrrolidin-1-yl]-5-fluoropyrimidin-4-yl]ethyl]phenyl]methyl]pyrrolidin-2-one;4-[2-[4-(1,1-difluoroethyl)phenyl]pyrrolidin-1-yl]-5-fluoro-6-[2-[6-(trifluoromethyl)-3-pyridinyl]ethyl]pyrimidine;5-fluoro-N-[(4-methyloxan-4-yl)methyl]-6-[2-[4-(trifluoromethyl)phenyl]pyrrolidin-1-yl]pyrimidin-4-amine
SMILESCC(C)CC(Nc1ncnc(N2CCCC2c2ccc(C(C)(F)F)cc2)c1F)c1nn[nH]n1.CC(F)(F)c1ccc(C2CCCN2c2ncnc(CCc3ccc(C(F)(F)F)nc3)c2F)cc1.CC(F)(F)c1ccc(C2CCCN2c2ncnc(CCc3ccc(CCO)cc3)c2F)cc1.CC(F)(F)c1ccc(C2CCCN2c2ncnc(CCc3ccc(CN4CCCC4=O)cc3)c2F)cc1.CC1(CNc2ncnc(N3CCCC3c3ccc(C(F)(F)F)cc3)c2F)CCOCC1.O=C1CC(CNc2ncnc(N3CCCC3c3ccc(C(F)(F)F)cc3)c2F)CN1C1CCCC1
InChIInChI=1S/C29H31F3N4O.C26H28F3N3O.C25H29F4N5O.C24H22F6N4.C22H26F4N4O.C22H27F3N8/c1-29(31,32)23-13-11-22(12-14-23)25-4-2-17-36(25)28-27(30)24(33-19-34-28)15-10-20-6-8-21(9-7-20)18-35-16-3-5-26(35)37;1-26(28,29)21-11-9-20(10-12-21)23-3-2-15-32(23)25-24(27)22(30-17-31-25)13-8-18-4-6-19(7-5-18)14-16-33;26-22-23(30-13-16-12-21(35)34(14-16)19-4-1-2-5-19)31-15-32-24(22)33-11-3-6-20(33)17-7-9-18(10-8-17)25(27,28)29;1-23(26,27)17-8-6-16(7-9-17)19-3-2-12-34(19)22-21(25)18(32-14-33-22)10-4-15-5-11-20(31-13-15)24(28,29)30;1-21(8-11-31-12-9-21)13-27-19-18(23)20(29-14-28-19)30-10-2-3-17(30)15-4-6-16(7-5-15)22(24,25)26;1-13(2)11-16(19-29-31-32-30-19)28-20-18(23)21(27-12-26-20)33-10-4-5-17(33)14-6-8-15(9-7-14)22(3,24)25/h6-9,11-14,19,25H,2-5,10,15-18H2,1H3;4-7,9-12,17,23,33H,2-3,8,13-16H2,1H3;7-10,15-16,19-20H,1-6,11-14H2,(H,30,31,32);5-9,11,13-14,19H,2-4,10,12H2,1H3;4-7,14,17H,2-3,8-13H2,1H3,(H,27,28,29);6-9,12-13,16-17H,4-5,10-11H2,1-3H3,(H,26,27,28)(H,29,30,31,32)
InChIKeyKIBUECIKVXQJPQ-UHFFFAOYSA-N
XLogP32.80
TPSA347.64 Ų
H-Bond Donors5
H-Bond Acceptors29
Rotatable Bonds41
Heavy Atoms203
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002835.08
LogP ≤ 532.80
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1029

Analyze 1-cyclopentyl-4-[[[5-fluoro-6-[2-[4-(trifluoromethyl)phenyl]pyrrolidin-1-yl]pyrimidin-4-yl]amino]methyl]pyrrolidin-2-one;6-[2-[4-(1,1-difluoroethyl)phenyl]pyrrolidin-1-yl]-5-fluoro-N-[3-methyl-1-(2H-tetrazol-5-yl)butyl]pyrimidin-4-amine;2-[4-[2-[6-[2-[4-(1,1-difluoroethyl)phenyl]pyrrolidin-1-yl]-5-fluoropyrimidin-4-yl]ethyl]phenyl]ethanol;1-[[4-[2-[6-[2-[4-(1,1-difluoroethyl)phenyl]pyrrolidin-1-yl]-5-fluoropyrimidin-4-yl]ethyl]phenyl]methyl]pyrrolidin-2-one;4-[2-[4-(1,1-difluoroethyl)phenyl]pyrrolidin-1-yl]-5-fluoro-6-[2-[6-(trifluoromethyl)-3-pyridinyl]ethyl]pyrimidine;5-fluoro-N-[(4-methyloxan-4-yl)methyl]-6-[2-[4-(trifluoromethyl)phenyl]pyrrolidin-1-yl]pyrimidin-4-amine with MolForge

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Related Compounds

6-[2-[4-(1,1-difluoroethyl)phenyl]pyrrolidin-1-yl]-N-[(5-ethyl-2-pyridinyl)methyl]-5-fluoropyrimidin-4-amine;4-[2-[4-(1,1-difluoroethyl)phenyl]pyrrolidin-1-yl]-5-fluoro-6-(2-phenylethyl)pyrimidine;6-[2-[4-(1,1-difluoroethyl)phenyl]pyrrolidin-1-yl]-5-fluoro-N-(pyridin-4-ylmethyl)pyrimidin-4-amine;1-[4-[2-[6-[2-[4-(1,1-difluoroethyl)phenyl]pyrrolidin-1-yl]-5-fluoropyrimidin-4-yl]ethyl]phenyl]pyrrolidin-2-one;4-[2-[4-(1,1-difluoroethyl)phenyl]pyrrolidin-1-yl]-5-fluoro-6-[2-[4-(2H-tetrazol-5-yl)phenyl]ethyl]pyrimidine
CID 157265952
N-[[4-(1,1-difluoroethyl)phenyl]methyl]-5,5-dimethyl-2-(oxan-4-ylamino)-7H-pyrrolo[3,4-d]pyrimidine-6-carboxamide;5,5-dimethyl-N-[(2-methylphenyl)methyl]-2-(oxan-4-ylamino)-7H-pyrrolo[3,4-d]pyrimidine-6-carboxamide;5,5-dimethyl-N-[(4-methylphenyl)methyl]-2-(oxan-4-ylamino)-7H-pyrrolo[3,4-d]pyrimidine-6-carboxamide;5,5-dimethyl-2-(oxan-4-ylamino)-N-(2,2,2-trifluoro-1-phenylethyl)-7H-pyrrolo[3,4-d]pyrimidine-6-carboxamide;N-[(1S)-2-hydroxy-1-phenylethyl]-5,5-dimethyl-2-(oxan-3-ylamino)-7H-pyrrolo[3,4-d]pyrimidine-6-carboxamide;sulfane
CID 157398956
CID 158072338
CID 158072338
1-[4-[6-[[3-(1,1-Difluoroethyl)phenyl]methyl]-2-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]piperazin-1-yl]ethanone;1-[4-[2-[(3,5-difluorophenyl)methyl]-6-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]piperazin-1-yl]ethanone;4-[(3,5-dimethylpyrazol-1-yl)methyl]-2-[3-(fluoromethyl)pyrazol-1-yl]-6-[(4-methylphenyl)methyl]pyridine;[1-[4-[(3,5-dimethylpyrazol-1-yl)methyl]-6-[(4-methylphenyl)methyl]-2-pyridinyl]pyrazol-3-yl]methanol
CID 159291019
1-[4-[2-[[1-(2,2-difluoroethyl)pyrazol-4-yl]amino]-[1,2,4]triazolo[1,5-a]pyridin-8-yl]-3,6-dihydro-2H-pyridin-1-yl]-4,4-difluoropentan-1-one;[1-[2-[[1-(2,2-difluoroethyl)pyrazol-4-yl]amino]-[1,2,4]triazolo[1,5-a]pyridin-8-yl]-4-(4-methylphenyl)piperidin-4-yl]methanol;4,4-difluoro-1-[4-[2-[[1-(2-hydroxyethyl)pyrazol-4-yl]amino]-[1,2,4]triazolo[1,5-a]pyridin-8-yl]-3,6-dihydro-2H-pyridin-1-yl]pentan-1-one;2-[4-[[8-[4-(hydroxymethyl)-4-(4-methylphenyl)piperidin-1-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]pyrazol-1-yl]ethanol
CID 160614005
5,5-dimethyl-2-(oxan-4-ylamino)-N-[[4-(trifluoromethyl)phenyl]methyl]-7H-pyrrolo[3,4-d]pyrimidine-6-carboxamide;5,5-dimethyl-2-(oxan-4-ylamino)-N-(2,2,2-trifluoro-1-phenylethyl)-7H-pyrrolo[3,4-d]pyrimidine-6-carboxamide;N-[(2-fluorophenyl)methyl]-5,5-dimethyl-2-(oxan-4-ylamino)-7H-pyrrolo[3,4-d]pyrimidine-6-carboxamide;N-[(4-fluorophenyl)methyl]-5,5-dimethyl-2-(oxan-4-ylamino)-7H-pyrrolo[3,4-d]pyrimidine-6-carboxamide;N-[(1S)-2-hydroxy-1-phenylethyl]-5,5-dimethyl-2-(oxan-3-ylamino)-7H-pyrrolo[3,4-d]pyrimidine-6-carboxamide;sulfane
CID 162015893
CID 167552581
CID 167552581
N-[5-acetyl-1-[(2-fluorophenyl)methyl]piperidin-3-yl]-5,5-dimethyl-2-(oxan-4-ylamino)-7H-pyrrolo[3,4-d]pyrimidine-6-carboxamide;N-[5-acetyl-1-[(3-methylphenyl)methyl]piperidin-3-yl]-5,5-dimethyl-2-(oxan-4-ylamino)-7H-pyrrolo[3,4-d]pyrimidine-6-carboxamide;(5S)-5-ethyl-N-[(1S)-2-hydroxy-1-phenylethyl]-5-methyl-2-(oxan-4-ylamino)-7H-pyrrolo[3,4-d]pyrimidine-6-carboxamide;(5R)-5-ethyl-N-[(1S)-2-hydroxy-1-phenylethyl]-5-methyl-2-(oxan-4-ylamino)-7H-pyrrolo[3,4-d]pyrimidine-6-carboxamide;5-ethyl-5-methyl-N-[(4-methylphenyl)methyl]-2-(oxan-4-ylamino)-7H-pyrrolo[3,4-d]pyrimidine-6-carboxamide
CID 157423222
(2S)-N-[5-[1-(difluoromethyl)pyrazol-4-yl]-2-pyridinyl]-2-[[(2S)-2-(4-methylphenyl)propyl]amino]-2-phenylacetamide;(2R)-N-[5-[1-(difluoromethyl)pyrazol-4-yl]-2-pyridinyl]-2-[[(2R)-2-(4-methylphenyl)propyl]amino]-2-phenylacetamide;(2S)-2-[2-(2-fluoro-4-methylphenyl)ethylamino]-N-[5-(1-methylpyrazol-4-yl)-2-pyridinyl]-2-phenylacetamide;(2R)-2-[2-(2-fluoro-4-methylphenyl)ethylamino]-N-[5-(1-methylpyrazol-4-yl)-2-pyridinyl]-2-phenylacetamide;(2S)-N-[5-(4-methylimidazol-1-yl)-2-pyridinyl]-2-[2-(4-methylphenyl)ethylamino]-2-phenylacetamide;(2R)-N-[5-(4-methylimidazol-1-yl)-2-pyridinyl]-2-[2-(4-methylphenyl)ethylamino]-2-phenylacetamide;(2R)-2-[2-(4-methylphenyl)ethylamino]-N-[1-(oxan-4-yl)pyrazol-3-yl]-2-phenylacetamide;(2S)-2-[2-(4-methylphenyl)ethylamino]-N-[1-(oxan-4-yl)pyrazol-3-yl]-2-phenylacetamide
CID 160060537
(3S)-1-(2-anilino-5,5-dimethyl-7H-pyrrolo[3,4-d]pyrimidin-6-yl)-4-(dimethylamino)-3-phenylbutan-1-one;N-benzyl-5,5-dimethyl-2-(oxan-4-ylamino)-7H-pyrrolo[3,4-d]pyrimidine-6-carboxamide;N-(cyclohexylmethyl)-5,5-dimethyl-2-(oxan-4-ylamino)-7H-pyrrolo[3,4-d]pyrimidine-6-carboxamide;N-[1-[(2-fluorophenyl)methyl]-5-(hydroxymethyl)piperidin-3-yl]-5,5-dimethyl-2-(oxan-4-ylamino)-7H-pyrrolo[3,4-d]pyrimidine-6-carboxamide;N,5,5-trimethyl-2-(oxan-4-ylamino)-7H-pyrrolo[3,4-d]pyrimidine-6-carboxamide
CID 160962292
2-anilino-N-[(2R)-1-(dimethylamino)propan-2-yl]-5,5-dimethyl-7H-pyrrolo[3,4-d]pyrimidine-6-carboxamide;(2-anilino-5,5-dimethyl-7H-pyrrolo[3,4-d]pyrimidin-6-yl)-(4-methylpiperazin-1-yl)methanone;(2-anilino-5,5-dimethyl-7H-pyrrolo[3,4-d]pyrimidin-6-yl)-(3,3,4-trimethylpiperazin-1-yl)methanone;1-[5,5-dimethyl-2-(oxan-4-ylamino)-7H-pyrrolo[3,4-d]pyrimidin-6-yl]butan-1-one;1-[5,5-dimethyl-2-(oxan-4-ylamino)-7H-pyrrolo[3,4-d]pyrimidin-6-yl]-3-methylbutan-1-one;2-(4-fluoroanilino)-N-[(1S)-2-hydroxy-1-phenylethyl]-5,5-dimethyl-7H-pyrrolo[3,4-d]pyrimidine-6-carboxamide;sulfane
CID 161302980
(3S)-1-(2-anilino-5,5-dimethyl-7H-pyrrolo[3,4-d]pyrimidin-6-yl)-4-(dimethylamino)-3-phenylbutan-1-one;N-benzyl-5,5-dimethyl-2-(oxan-4-ylamino)-7H-pyrrolo[3,4-d]pyrimidine-6-carboxamide;N-(cyclohexylmethyl)-5,5-dimethyl-2-(oxan-4-ylamino)-7H-pyrrolo[3,4-d]pyrimidine-6-carboxamide;1-[5,5-dimethyl-2-(oxan-4-ylamino)-7H-pyrrolo[3,4-d]pyrimidin-6-yl]propan-1-one;N-[1-[(2-fluorophenyl)methyl]-5-(hydroxymethyl)piperidin-3-yl]-5,5-dimethyl-2-(oxan-4-ylamino)-7H-pyrrolo[3,4-d]pyrimidine-6-carboxamide
CID 162240597

Frequently Asked Questions

What is the IUPAC name of 1-cyclopentyl-4-[[[5-fluoro-6-[2-[4-(trifluoromethyl)phenyl]pyrrolidin-1-yl]pyrimidin-4-yl]amino]methyl]pyrrolidin-2-one;6-[2-[4-(1,1-difluoroethyl)phenyl]pyrrolidin-1-yl]-5-fluoro-N-[3-methyl-1-(2H-tetrazol-5-yl)butyl]pyrimidin-4-amine;2-[4-[2-[6-[2-[4-(1,1-difluoroethyl)phenyl]pyrrolidin-1-yl]-5-fluoropyrimidin-4-yl]ethyl]phenyl]ethanol;1-[[4-[2-[6-[2-[4-(1,1-difluoroethyl)phenyl]pyrrolidin-1-yl]-5-fluoropyrimidin-4-yl]ethyl]phenyl]methyl]pyrrolidin-2-one;4-[2-[4-(1,1-difluoroethyl)phenyl]pyrrolidin-1-yl]-5-fluoro-6-[2-[6-(trifluoromethyl)-3-pyridinyl]ethyl]pyrimidine;5-fluoro-N-[(4-methyloxan-4-yl)methyl]-6-[2-[4-(trifluoromethyl)phenyl]pyrrolidin-1-yl]pyrimidin-4-amine?
The IUPAC name of 1-cyclopentyl-4-[[[5-fluoro-6-[2-[4-(trifluoromethyl)phenyl]pyrrolidin-1-yl]pyrimidin-4-yl]amino]methyl]pyrrolidin-2-one;6-[2-[4-(1,1-difluoroethyl)phenyl]pyrrolidin-1-yl]-5-fluoro-N-[3-methyl-1-(2H-tetrazol-5-yl)butyl]pyrimidin-4-amine;2-[4-[2-[6-[2-[4-(1,1-difluoroethyl)phenyl]pyrrolidin-1-yl]-5-fluoropyrimidin-4-yl]ethyl]phenyl]ethanol;1-[[4-[2-[6-[2-[4-(1,1-difluoroethyl)phenyl]pyrrolidin-1-yl]-5-fluoropyrimidin-4-yl]ethyl]phenyl]methyl]pyrrolidin-2-one;4-[2-[4-(1,1-difluoroethyl)phenyl]pyrrolidin-1-yl]-5-fluoro-6-[2-[6-(trifluoromethyl)-3-pyridinyl]ethyl]pyrimidine;5-fluoro-N-[(4-methyloxan-4-yl)methyl]-6-[2-[4-(trifluoromethyl)phenyl]pyrrolidin-1-yl]pyrimidin-4-amine (CID 159140916) is 1-cyclopentyl-4-[[[5-fluoro-6-[2-[4-(trifluoromethyl)phenyl]pyrrolidin-1-yl]pyrimidin-4-yl]amino]methyl]pyrrolidin-2-one;6-[2-[4-(1,1-difluoroethyl)phenyl]pyrrolidin-1-yl]-5-fluoro-N-[3-methyl-1-(2H-tetrazol-5-yl)butyl]pyrimidin-4-amine;2-[4-[2-[6-[2-[4-(1,1-difluoroethyl)phenyl]pyrrolidin-1-yl]-5-fluoropyrimidin-4-yl]ethyl]phenyl]ethanol;1-[[4-[2-[6-[2-[4-(1,1-difluoroethyl)phenyl]pyrrolidin-1-yl]-5-fluoropyrimidin-4-yl]ethyl]phenyl]methyl]pyrrolidin-2-one;4-[2-[4-(1,1-difluoroethyl)phenyl]pyrrolidin-1-yl]-5-fluoro-6-[2-[6-(trifluoromethyl)-3-pyridinyl]ethyl]pyrimidine;5-fluoro-N-[(4-methyloxan-4-yl)methyl]-6-[2-[4-(trifluoromethyl)phenyl]pyrrolidin-1-yl]pyrimidin-4-amine.
What is the SMILES notation for 1-cyclopentyl-4-[[[5-fluoro-6-[2-[4-(trifluoromethyl)phenyl]pyrrolidin-1-yl]pyrimidin-4-yl]amino]methyl]pyrrolidin-2-one;6-[2-[4-(1,1-difluoroethyl)phenyl]pyrrolidin-1-yl]-5-fluoro-N-[3-methyl-1-(2H-tetrazol-5-yl)butyl]pyrimidin-4-amine;2-[4-[2-[6-[2-[4-(1,1-difluoroethyl)phenyl]pyrrolidin-1-yl]-5-fluoropyrimidin-4-yl]ethyl]phenyl]ethanol;1-[[4-[2-[6-[2-[4-(1,1-difluoroethyl)phenyl]pyrrolidin-1-yl]-5-fluoropyrimidin-4-yl]ethyl]phenyl]methyl]pyrrolidin-2-one;4-[2-[4-(1,1-difluoroethyl)phenyl]pyrrolidin-1-yl]-5-fluoro-6-[2-[6-(trifluoromethyl)-3-pyridinyl]ethyl]pyrimidine;5-fluoro-N-[(4-methyloxan-4-yl)methyl]-6-[2-[4-(trifluoromethyl)phenyl]pyrrolidin-1-yl]pyrimidin-4-amine?
The canonical SMILES for 1-cyclopentyl-4-[[[5-fluoro-6-[2-[4-(trifluoromethyl)phenyl]pyrrolidin-1-yl]pyrimidin-4-yl]amino]methyl]pyrrolidin-2-one;6-[2-[4-(1,1-difluoroethyl)phenyl]pyrrolidin-1-yl]-5-fluoro-N-[3-methyl-1-(2H-tetrazol-5-yl)butyl]pyrimidin-4-amine;2-[4-[2-[6-[2-[4-(1,1-difluoroethyl)phenyl]pyrrolidin-1-yl]-5-fluoropyrimidin-4-yl]ethyl]phenyl]ethanol;1-[[4-[2-[6-[2-[4-(1,1-difluoroethyl)phenyl]pyrrolidin-1-yl]-5-fluoropyrimidin-4-yl]ethyl]phenyl]methyl]pyrrolidin-2-one;4-[2-[4-(1,1-difluoroethyl)phenyl]pyrrolidin-1-yl]-5-fluoro-6-[2-[6-(trifluoromethyl)-3-pyridinyl]ethyl]pyrimidine;5-fluoro-N-[(4-methyloxan-4-yl)methyl]-6-[2-[4-(trifluoromethyl)phenyl]pyrrolidin-1-yl]pyrimidin-4-amine is CC(C)CC(Nc1ncnc(N2CCCC2c2ccc(C(C)(F)F)cc2)c1F)c1nn[nH]n1.CC(F)(F)c1ccc(C2CCCN2c2ncnc(CCc3ccc(C(F)(F)F)nc3)c2F)cc1.CC(F)(F)c1ccc(C2CCCN2c2ncnc(CCc3ccc(CCO)cc3)c2F)cc1.CC(F)(F)c1ccc(C2CCCN2c2ncnc(CCc3ccc(CN4CCCC4=O)cc3)c2F)cc1.CC1(CNc2ncnc(N3CCCC3c3ccc(C(F)(F)F)cc3)c2F)CCOCC1.O=C1CC(CNc2ncnc(N3CCCC3c3ccc(C(F)(F)F)cc3)c2F)CN1C1CCCC1.
What is the InChIKey of 1-cyclopentyl-4-[[[5-fluoro-6-[2-[4-(trifluoromethyl)phenyl]pyrrolidin-1-yl]pyrimidin-4-yl]amino]methyl]pyrrolidin-2-one;6-[2-[4-(1,1-difluoroethyl)phenyl]pyrrolidin-1-yl]-5-fluoro-N-[3-methyl-1-(2H-tetrazol-5-yl)butyl]pyrimidin-4-amine;2-[4-[2-[6-[2-[4-(1,1-difluoroethyl)phenyl]pyrrolidin-1-yl]-5-fluoropyrimidin-4-yl]ethyl]phenyl]ethanol;1-[[4-[2-[6-[2-[4-(1,1-difluoroethyl)phenyl]pyrrolidin-1-yl]-5-fluoropyrimidin-4-yl]ethyl]phenyl]methyl]pyrrolidin-2-one;4-[2-[4-(1,1-difluoroethyl)phenyl]pyrrolidin-1-yl]-5-fluoro-6-[2-[6-(trifluoromethyl)-3-pyridinyl]ethyl]pyrimidine;5-fluoro-N-[(4-methyloxan-4-yl)methyl]-6-[2-[4-(trifluoromethyl)phenyl]pyrrolidin-1-yl]pyrimidin-4-amine?
The InChIKey is KIBUECIKVXQJPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H31F3N4O.C26H28F3N3O.C25H29F4N5O.C24H22F6N4.C22H26F4N4O.C22H27F3N8/c1-29(31,32)23-13-11-22(12-14-23)25-4-2-17-36(25)28-27(30)24(33-19-34-28)15-10-20-6-8-21(9-7-20)18-35-16-3-5-26(35)37;1-26(28,29)21-11-9-20(10-12-21)23-3-2-15-32(23)25-24(27)22(30-17-31-25)13-8-18-4-6-19(7-5-18)14-16-33;26-22-23(30-13-16-12-21(35)34(14-16)19-4-1-2-5-19)31-15-32-24(22)33-11-3-6-20(33)17-7-9-18(10-8-17)25(27,28)29;1-23(26,27)17-8-6-16(7-9-17)19-3-2-12-34(19)22-21(25)18(32-14-33-22)10-4-15-5-11-20(31-13-15)24(28,29)30;1-21(8-11-31-12-9-21)13-27-19-18(23)20(29-14-28-19)30-10-2-3-17(30)15-4-6-16(7-5-15)22(24,25)26;1-13(2)11-16(19-29-31-32-30-19)28-20-18(23)21(27-12-26-20)33-10-4-5-17(33)14-6-8-15(9-7-14)22(3,24)25/h6-9,11-14,19,25H,2-5,10,15-18H2,1H3;4-7,9-12,17,23,33H,2-3,8,13-16H2,1H3;7-10,15-16,19-20H,1-6,11-14H2,(H,30,31,32);5-9,11,13-14,19H,2-4,10,12H2,1H3;4-7,14,17H,2-3,8-13H2,1H3,(H,27,28,29);6-9,12-13,16-17H,4-5,10-11H2,1-3H3,(H,26,27,28)(H,29,30,31,32).
What are the key properties of 1-cyclopentyl-4-[[[5-fluoro-6-[2-[4-(trifluoromethyl)phenyl]pyrrolidin-1-yl]pyrimidin-4-yl]amino]methyl]pyrrolidin-2-one;6-[2-[4-(1,1-difluoroethyl)phenyl]pyrrolidin-1-yl]-5-fluoro-N-[3-methyl-1-(2H-tetrazol-5-yl)butyl]pyrimidin-4-amine;2-[4-[2-[6-[2-[4-(1,1-difluoroethyl)phenyl]pyrrolidin-1-yl]-5-fluoropyrimidin-4-yl]ethyl]phenyl]ethanol;1-[[4-[2-[6-[2-[4-(1,1-difluoroethyl)phenyl]pyrrolidin-1-yl]-5-fluoropyrimidin-4-yl]ethyl]phenyl]methyl]pyrrolidin-2-one;4-[2-[4-(1,1-difluoroethyl)phenyl]pyrrolidin-1-yl]-5-fluoro-6-[2-[6-(trifluoromethyl)-3-pyridinyl]ethyl]pyrimidine;5-fluoro-N-[(4-methyloxan-4-yl)methyl]-6-[2-[4-(trifluoromethyl)phenyl]pyrrolidin-1-yl]pyrimidin-4-amine?
1-cyclopentyl-4-[[[5-fluoro-6-[2-[4-(trifluoromethyl)phenyl]pyrrolidin-1-yl]pyrimidin-4-yl]amino]methyl]pyrrolidin-2-one;6-[2-[4-(1,1-difluoroethyl)phenyl]pyrrolidin-1-yl]-5-fluoro-N-[3-methyl-1-(2H-tetrazol-5-yl)butyl]pyrimidin-4-amine;2-[4-[2-[6-[2-[4-(1,1-difluoroethyl)phenyl]pyrrolidin-1-yl]-5-fluoropyrimidin-4-yl]ethyl]phenyl]ethanol;1-[[4-[2-[6-[2-[4-(1,1-difluoroethyl)phenyl]pyrrolidin-1-yl]-5-fluoropyrimidin-4-yl]ethyl]phenyl]methyl]pyrrolidin-2-one;4-[2-[4-(1,1-difluoroethyl)phenyl]pyrrolidin-1-yl]-5-fluoro-6-[2-[6-(trifluoromethyl)-3-pyridinyl]ethyl]pyrimidine;5-fluoro-N-[(4-methyloxan-4-yl)methyl]-6-[2-[4-(trifluoromethyl)phenyl]pyrrolidin-1-yl]pyrimidin-4-amine has a molecular weight of 2835.08 g/mol, XLogP of 32.80, 41 rotatable bonds, 5 hydrogen bond donors, and 29 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopentyl-4-[[[5-fluoro-6-[2-[4-(trifluoromethyl)phenyl]pyrrolidin-1-yl]pyrimidin-4-yl]amino]methyl]pyrrolidin-2-one;6-[2-[4-(1,1-difluoroethyl)phenyl]pyrrolidin-1-yl]-5-fluoro-N-[3-methyl-1-(2H-tetrazol-5-yl)butyl]pyrimidin-4-amine;2-[4-[2-[6-[2-[4-(1,1-difluoroethyl)phenyl]pyrrolidin-1-yl]-5-fluoropyrimidin-4-yl]ethyl]phenyl]ethanol;1-[[4-[2-[6-[2-[4-(1,1-difluoroethyl)phenyl]pyrrolidin-1-yl]-5-fluoropyrimidin-4-yl]ethyl]phenyl]methyl]pyrrolidin-2-one;4-[2-[4-(1,1-difluoroethyl)phenyl]pyrrolidin-1-yl]-5-fluoro-6-[2-[6-(trifluoromethyl)-3-pyridinyl]ethyl]pyrimidine;5-fluoro-N-[(4-methyloxan-4-yl)methyl]-6-[2-[4-(trifluoromethyl)phenyl]pyrrolidin-1-yl]pyrimidin-4-amine is sourced from PubChem (CID 159140916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).