[4-[[5-chloro-4-(ethylamino)-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]-3-methoxyphenyl]-morpholin-4-ylmethanone;4-[5-chloro-2-[[2-methoxy-4-(morpholine-4-carbonyl)phenyl]methyl]-7H-cyclopenta[d]pyrimidin-4-yl]piperazin-2-one;[4-[[5-chloro-4-(methylamino)-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]-3-methoxyphenyl]-morpholin-4-ylmethanone;[4-[[5-chloro-4-(propylamino)-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]-3-methoxyphenyl]-morpholin-4-ylmethanone;[4-[(5-chloro-7H-pyrrolo[2,3-d]pyrimidin-2-yl)amino]-3-methoxyphenyl]-morpholin-4-ylmethanone;[4-[[4-(cyclopropylamino)-7H-cyclopenta[d]pyrimidin-2-yl]methyl]-3-methoxyphenyl]-morpholin-4-ylmethanone;[2-fluoro-5-methoxy-4-[[4-(methylamino)-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]phenyl]-morpholin-4-ylmethanone

C144H160Cl5FN38O22 — CID 158714358

IUPAC[4-[[5-chloro-4-(ethylamino)-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]-3-methoxyphenyl]-morpholin-4-ylmethanone;4-[5-chloro-2-[[2-methoxy-4-(morpholine-4-carbonyl)phenyl]methyl]-7H-cyclopenta[d]pyrimidin-4-yl]piperazin-2-one;[4-[[5-chloro-4-(methylamino)-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]-3-methoxyphenyl]-morpholin-4-ylmethanone;[4-[[5-chloro-4-(propylamino)-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]-3-methoxyphenyl]-morpholin-4-ylmethanone;[4-[(5-chloro-7H-pyrrolo[2,3-d]pyrimidin-2-yl)amino]-3-methoxyphenyl]-morpholin-4-ylmethanone;[4-[[4-(cyclopropylamino)-7H-cyclopenta[d]pyrimidin-2-yl]methyl]-3-methoxyphenyl]-morpholin-4-ylmethanone;[2-fluoro-5-methoxy-4-[[4-(methylamino)-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]phenyl]-morpholin-4-ylmethanone
SMILESCCCNc1nc(Nc2ccc(C(=O)N3CCOCC3)cc2OC)nc2[nH]cc(Cl)c12.CCNc1nc(Nc2ccc(C(=O)N3CCOCC3)cc2OC)nc2[nH]cc(Cl)c12.CNc1nc(Nc2cc(F)c(C(=O)N3CCOCC3)cc2OC)nc2[nH]ccc12.CNc1nc(Nc2ccc(C(=O)N3CCOCC3)cc2OC)nc2[nH]cc(Cl)c12.COc1cc(C(=O)N2CCOCC2)ccc1Cc1nc2c(c(N3CCNC(=O)C3)n1)C(Cl)=CC2.COc1cc(C(=O)N2CCOCC2)ccc1Cc1nc2c(c(NC3CC3)n1)C=CC2.COc1cc(C(=O)N2CCOCC2)ccc1Nc1ncc2c(Cl)c[nH]c2n1
InChIInChI=1S/C24H26ClN5O4.C23H26N4O3.C21H25ClN6O3.C20H23ClN6O3.C19H21ClN6O3.C19H21FN6O3.C18H18ClN5O3/c1-33-19-12-16(24(32)29-8-10-34-11-9-29)3-2-15(19)13-20-27-18-5-4-17(25)22(18)23(28-20)30-7-6-26-21(31)14-30;1-29-20-13-16(23(28)27-9-11-30-12-10-27)6-5-15(20)14-21-25-19-4-2-3-18(19)22(26-21)24-17-7-8-17;1-3-6-23-18-17-14(22)12-24-19(17)27-21(26-18)25-15-5-4-13(11-16(15)30-2)20(29)28-7-9-31-10-8-28;1-3-22-17-16-13(21)11-23-18(16)26-20(25-17)24-14-5-4-12(10-15(14)29-2)19(28)27-6-8-30-9-7-27;1-21-16-15-12(20)10-22-17(15)25-19(24-16)23-13-4-3-11(9-14(13)28-2)18(27)26-5-7-29-8-6-26;1-21-16-11-3-4-22-17(11)25-19(24-16)23-14-10-13(20)12(9-15(14)28-2)18(27)26-5-7-29-8-6-26;1-26-15-8-11(17(25)24-4-6-27-7-5-24)2-3-14(15)22-18-21-9-12-13(19)10-20-16(12)23-18/h2-4,12H,5-11,13-14H2,1H3,(H,26,31);2-3,5-6,13,17H,4,7-12,14H2,1H3,(H,24,25,26);4-5,11-12H,3,6-10H2,1-2H3,(H3,23,24,25,26,27);4-5,10-11H,3,6-9H2,1-2H3,(H3,22,23,24,25,26);2*3-4,9-10H,5-8H2,1-2H3,(H3,21,22,23,24,25);2-3,8-10H,4-7H2,1H3,(H2,20,21,22,23)
InChIKeyIJCXINQVJGIEBV-UHFFFAOYSA-N
MW2971.37 g/mol
LogP19.31
Rot. Bonds38

About [4-[[5-chloro-4-(ethylamino)-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]-3-methoxyphenyl]-morpholin-4-ylmethanone;4-[5-chloro-2-[[2-methoxy-4-(morpholine-4-carbonyl)phenyl]methyl]-7H-cyclopenta[d]pyrimidin-4-yl]piperazin-2-one;[4-[[5-chloro-4-(methylamino)-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]-3-methoxyphenyl]-morpholin-4-ylmethanone;[4-[[5-chloro-4-(propylamino)-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]-3-methoxyphenyl]-morpholin-4-ylmethanone;[4-[(5-chloro-7H-pyrrolo[2,3-d]pyrimidin-2-yl)amino]-3-methoxyphenyl]-morpholin-4-ylmethanone;[4-[[4-(cyclopropylamino)-7H-cyclopenta[d]pyrimidin-2-yl]methyl]-3-methoxyphenyl]-morpholin-4-ylmethanone;[2-fluoro-5-methoxy-4-[[4-(methylamino)-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]phenyl]-morpholin-4-ylmethanone

[4-[[5-chloro-4-(ethylamino)-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]-3-methoxyphenyl]-morpholin-4-ylmethanone;4-[5-chloro-2-[[2-methoxy-4-(morpholine-4-carbonyl)phenyl]methyl]-7H-cyclopenta[d]pyrimidin-4-yl]piperazin-2-one;[4-[[5-chloro-4-(methylamino)-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]-3-methoxyphenyl]-morpholin-4-ylmethanone;[4-[[5-chloro-4-(propylamino)-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]-3-methoxyphenyl]-morpholin-4-ylmethanone;[4-[(5-chloro-7H-pyrrolo[2,3-d]pyrimidin-2-yl)amino]-3-methoxyphenyl]-morpholin-4-ylmethanone;[4-[[4-(cyclopropylamino)-7H-cyclopenta[d]pyrimidin-2-yl]methyl]-3-methoxyphenyl]-morpholin-4-ylmethanone;[2-fluoro-5-methoxy-4-[[4-(methylamino)-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]phenyl]-morpholin-4-ylmethanone (PubChem CID 158714358) has the molecular formula C144H160Cl5FN38O22 and a molecular weight of 2971.37 g/mol. Its IUPAC name is [4-[[5-chloro-4-(ethylamino)-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]-3-methoxyphenyl]-morpholin-4-ylmethanone;4-[5-chloro-2-[[2-methoxy-4-(morpholine-4-carbonyl)phenyl]methyl]-7H-cyclopenta[d]pyrimidin-4-yl]piperazin-2-one;[4-[[5-chloro-4-(methylamino)-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]-3-methoxyphenyl]-morpholin-4-ylmethanone;[4-[[5-chloro-4-(propylamino)-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]-3-methoxyphenyl]-morpholin-4-ylmethanone;[4-[(5-chloro-7H-pyrrolo[2,3-d]pyrimidin-2-yl)amino]-3-methoxyphenyl]-morpholin-4-ylmethanone;[4-[[4-(cyclopropylamino)-7H-cyclopenta[d]pyrimidin-2-yl]methyl]-3-methoxyphenyl]-morpholin-4-ylmethanone;[2-fluoro-5-methoxy-4-[[4-(methylamino)-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]phenyl]-morpholin-4-ylmethanone.

Molecular Properties

Compound Name[4-[[5-chloro-4-(ethylamino)-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]-3-methoxyphenyl]-morpholin-4-ylmethanone;4-[5-chloro-2-[[2-methoxy-4-(morpholine-4-carbonyl)phenyl]methyl]-7H-cyclopenta[d]pyrimidin-4-yl]piperazin-2-one;[4-[[5-chloro-4-(methylamino)-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]-3-methoxyphenyl]-morpholin-4-ylmethanone;[4-[[5-chloro-4-(propylamino)-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]-3-methoxyphenyl]-morpholin-4-ylmethanone;[4-[(5-chloro-7H-pyrrolo[2,3-d]pyrimidin-2-yl)amino]-3-methoxyphenyl]-morpholin-4-ylmethanone;[4-[[4-(cyclopropylamino)-7H-cyclopenta[d]pyrimidin-2-yl]methyl]-3-methoxyphenyl]-morpholin-4-ylmethanone;[2-fluoro-5-methoxy-4-[[4-(methylamino)-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]phenyl]-morpholin-4-ylmethanone
PubChem CID158714358
Molecular FormulaC144H160Cl5FN38O22
Molecular Weight2971.37 g/mol
Exact Mass2967.10
IUPAC Name[4-[[5-chloro-4-(ethylamino)-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]-3-methoxyphenyl]-morpholin-4-ylmethanone;4-[5-chloro-2-[[2-methoxy-4-(morpholine-4-carbonyl)phenyl]methyl]-7H-cyclopenta[d]pyrimidin-4-yl]piperazin-2-one;[4-[[5-chloro-4-(methylamino)-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]-3-methoxyphenyl]-morpholin-4-ylmethanone;[4-[[5-chloro-4-(propylamino)-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]-3-methoxyphenyl]-morpholin-4-ylmethanone;[4-[(5-chloro-7H-pyrrolo[2,3-d]pyrimidin-2-yl)amino]-3-methoxyphenyl]-morpholin-4-ylmethanone;[4-[[4-(cyclopropylamino)-7H-cyclopenta[d]pyrimidin-2-yl]methyl]-3-methoxyphenyl]-morpholin-4-ylmethanone;[2-fluoro-5-methoxy-4-[[4-(methylamino)-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]phenyl]-morpholin-4-ylmethanone
SMILESCCCNc1nc(Nc2ccc(C(=O)N3CCOCC3)cc2OC)nc2[nH]cc(Cl)c12.CCNc1nc(Nc2ccc(C(=O)N3CCOCC3)cc2OC)nc2[nH]cc(Cl)c12.CNc1nc(Nc2cc(F)c(C(=O)N3CCOCC3)cc2OC)nc2[nH]ccc12.CNc1nc(Nc2ccc(C(=O)N3CCOCC3)cc2OC)nc2[nH]cc(Cl)c12.COc1cc(C(=O)N2CCOCC2)ccc1Cc1nc2c(c(N3CCNC(=O)C3)n1)C(Cl)=CC2.COc1cc(C(=O)N2CCOCC2)ccc1Cc1nc2c(c(NC3CC3)n1)C=CC2.COc1cc(C(=O)N2CCOCC2)ccc1Nc1ncc2c(Cl)c[nH]c2n1
InChIInChI=1S/C24H26ClN5O4.C23H26N4O3.C21H25ClN6O3.C20H23ClN6O3.C19H21ClN6O3.C19H21FN6O3.C18H18ClN5O3/c1-33-19-12-16(24(32)29-8-10-34-11-9-29)3-2-15(19)13-20-27-18-5-4-17(25)22(18)23(28-20)30-7-6-26-21(31)14-30;1-29-20-13-16(23(28)27-9-11-30-12-10-27)6-5-15(20)14-21-25-19-4-2-3-18(19)22(26-21)24-17-7-8-17;1-3-6-23-18-17-14(22)12-24-19(17)27-21(26-18)25-15-5-4-13(11-16(15)30-2)20(29)28-7-9-31-10-8-28;1-3-22-17-16-13(21)11-23-18(16)26-20(25-17)24-14-5-4-12(10-15(14)29-2)19(28)27-6-8-30-9-7-27;1-21-16-15-12(20)10-22-17(15)25-19(24-16)23-13-4-3-11(9-14(13)28-2)18(27)26-5-7-29-8-6-26;1-21-16-11-3-4-22-17(11)25-19(24-16)23-14-10-13(20)12(9-15(14)28-2)18(27)26-5-7-29-8-6-26;1-26-15-8-11(17(25)24-4-6-27-7-5-24)2-3-14(15)22-18-21-9-12-13(19)10-20-16(12)23-18/h2-4,12H,5-11,13-14H2,1H3,(H,26,31);2-3,5-6,13,17H,4,7-12,14H2,1H3,(H,24,25,26);4-5,11-12H,3,6-10H2,1-2H3,(H3,23,24,25,26,27);4-5,10-11H,3,6-9H2,1-2H3,(H3,22,23,24,25,26);2*3-4,9-10H,5-8H2,1-2H3,(H3,21,22,23,24,25);2-3,8-10H,4-7H2,1H3,(H2,20,21,22,23)
InChIKeyIJCXINQVJGIEBV-UHFFFAOYSA-N
XLogP19.31
TPSA683.44 Ų
H-Bond Donors16
H-Bond Acceptors47
Rotatable Bonds38
Heavy Atoms210
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002971.37
LogP ≤ 519.31
H-Bond Donors ≤ 516
H-Bond Acceptors ≤ 1047

Analyze [4-[[5-chloro-4-(ethylamino)-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]-3-methoxyphenyl]-morpholin-4-ylmethanone;4-[5-chloro-2-[[2-methoxy-4-(morpholine-4-carbonyl)phenyl]methyl]-7H-cyclopenta[d]pyrimidin-4-yl]piperazin-2-one;[4-[[5-chloro-4-(methylamino)-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]-3-methoxyphenyl]-morpholin-4-ylmethanone;[4-[[5-chloro-4-(propylamino)-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]-3-methoxyphenyl]-morpholin-4-ylmethanone;[4-[(5-chloro-7H-pyrrolo[2,3-d]pyrimidin-2-yl)amino]-3-methoxyphenyl]-morpholin-4-ylmethanone;[4-[[4-(cyclopropylamino)-7H-cyclopenta[d]pyrimidin-2-yl]methyl]-3-methoxyphenyl]-morpholin-4-ylmethanone;[2-fluoro-5-methoxy-4-[[4-(methylamino)-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]phenyl]-morpholin-4-ylmethanone with MolForge

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Launch Full Analysis

Related Compounds

N-(1-hydroxy-2-methylpropan-2-yl)-1-methyl-3-(7H-pyrrolo[2,3-d]pyrimidin-6-yl)indole-5-carboxamide;3-[6-[5-methoxy-1-(2-morpholin-4-yl-2-oxoethyl)indol-3-yl]-7H-pyrrolo[2,3-d]pyrimidin-4-yl]-N-methylpropanamide;2-[5-methoxy-3-(7H-pyrrolo[2,3-d]pyrimidin-6-yl)indol-1-yl]-1-morpholin-4-ylethanone;2-[5-methoxy-3-[4-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidin-6-yl]indol-1-yl]-1-piperidin-1-ylethanone
CID 157855391
CID 158303459
CID 158303459
4-[[4-cyclopentyloxy-5-(2-methyl-1,3-benzoxazol-6-yl)-7H-cyclopenta[d]pyrimidin-2-yl]amino]-N-(2,2-difluoropropyl)-3-methoxybenzamide;[4-[[4-cyclopentyloxy-5-(2-methyl-1,3-benzoxazol-6-yl)-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]-3-methoxyphenyl]-[(3R,4R)-3,4-dimethoxypyrrolidin-1-yl]methanone;[4-[[4-cyclopentyloxy-5-(2-methyl-1,3-benzoxazol-6-yl)-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]-3-methoxyphenyl]-(2,2-dimethylaziridin-1-yl)methanone;3-methoxy-4-[[5-[4-[1-(methylamino)ethenyl]phenyl]-4-(oxan-4-yloxy)-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]-N-(oxetan-3-yl)benzamide
CID 159786415
4-[[4-cyclopentyloxy-5-(2-methyl-1,3-benzoxazol-6-yl)-7H-cyclopenta[d]pyrimidin-2-yl]amino]-N-(2,2-difluoropropyl)-3-methoxybenzamide;[4-[[4-cyclopentyloxy-5-(2-methyl-1,3-benzoxazol-6-yl)-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]-3-methoxyphenyl]-[(3R)-3,4-dimethoxypyrrolidin-1-yl]methanone;[4-[[4-cyclopentyloxy-5-(2-methyl-1,3-benzoxazol-6-yl)-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]-3-methoxyphenyl]-(2,2-dimethylaziridin-1-yl)methanone;3-methoxy-4-[[5-[4-[1-(methylamino)ethenyl]phenyl]-4-(oxan-4-yloxy)-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]-N-(oxetan-3-yl)benzamide
CID 159786416
CID 159947047
CID 159947047
CID 160480338
CID 160480338
CID 160498773
CID 160498773
4-[[8-(4-chlorophenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-N-cyclohexylbenzamide;N,N-dimethyl-4-[[8-(4-methylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzamide;N-(4-fluorophenyl)-8-(3-methylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine;8-(3-methylphenyl)-N-(2-methyl-4-pyridinyl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine;4-[[8-(4-methylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-N-(2-morpholin-4-ylethyl)benzamide;N-(2-piperazin-1-ylethyl)-4-[[8-[3-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzamide
CID 160749355
CID 161406592
CID 161406592
1-[3-[(6-chloro-1H-pyrrolo[2,3-b]pyridin-4-yl)oxy]-4-methylphenyl]-2-[4-[(4-ethylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]ethanone;2-[4-[(4-ethylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]-1-[4-methyl-3-(1H-pyrrolo[2,3-b]pyridin-4-yloxy)phenyl]ethanone;4-methyl-N-(3-methylphenyl)-3-[[2-[[4-(4-methylpiperazin-1-yl)phenyl]methyl]-7H-cyclopenta[b]pyridin-4-yl]oxy]benzamide;2-(3-methylphenyl)-1-[4-methyl-3-(1H-pyrrolo[2,3-b]pyridin-4-yloxy)phenyl]ethanone
CID 162221350
[4-[butyl(2-hydroxyethyl)amino]piperidin-1-yl]-[4-[[5-chloro-4-(methylamino)-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]-3-methoxyphenyl]methanone;[4-[[5-chloro-4-(ethylamino)-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]-3-methoxyphenyl]-(4-morpholin-4-ylpiperidin-1-yl)methanone
CID 145138831
4-[[5-(2-amino-3H-benzimidazol-5-yl)-4-(oxan-4-yloxy)-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]-N,N,3-trimethylbenzamide;N,3-dimethyl-4-[[4-(oxan-4-yloxy)-5-(3H-pyrrol-2-yl)-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]benzamide;4-[[4-methoxy-5-(6-methoxy-3-pyridinyl)-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]-N,3-dimethylbenzamide;3-methoxy-N-methyl-4-[[4-(oxan-4-yloxy)-5-pyridin-4-yl-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]benzamide;N,N,3-trimethyl-4-[[5-(2-methyl-4-pyridinyl)-4-(oxan-4-yloxy)-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]benzamide
CID 157126081

Frequently Asked Questions

What is the IUPAC name of [4-[[5-chloro-4-(ethylamino)-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]-3-methoxyphenyl]-morpholin-4-ylmethanone;4-[5-chloro-2-[[2-methoxy-4-(morpholine-4-carbonyl)phenyl]methyl]-7H-cyclopenta[d]pyrimidin-4-yl]piperazin-2-one;[4-[[5-chloro-4-(methylamino)-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]-3-methoxyphenyl]-morpholin-4-ylmethanone;[4-[[5-chloro-4-(propylamino)-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]-3-methoxyphenyl]-morpholin-4-ylmethanone;[4-[(5-chloro-7H-pyrrolo[2,3-d]pyrimidin-2-yl)amino]-3-methoxyphenyl]-morpholin-4-ylmethanone;[4-[[4-(cyclopropylamino)-7H-cyclopenta[d]pyrimidin-2-yl]methyl]-3-methoxyphenyl]-morpholin-4-ylmethanone;[2-fluoro-5-methoxy-4-[[4-(methylamino)-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]phenyl]-morpholin-4-ylmethanone?
The IUPAC name of [4-[[5-chloro-4-(ethylamino)-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]-3-methoxyphenyl]-morpholin-4-ylmethanone;4-[5-chloro-2-[[2-methoxy-4-(morpholine-4-carbonyl)phenyl]methyl]-7H-cyclopenta[d]pyrimidin-4-yl]piperazin-2-one;[4-[[5-chloro-4-(methylamino)-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]-3-methoxyphenyl]-morpholin-4-ylmethanone;[4-[[5-chloro-4-(propylamino)-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]-3-methoxyphenyl]-morpholin-4-ylmethanone;[4-[(5-chloro-7H-pyrrolo[2,3-d]pyrimidin-2-yl)amino]-3-methoxyphenyl]-morpholin-4-ylmethanone;[4-[[4-(cyclopropylamino)-7H-cyclopenta[d]pyrimidin-2-yl]methyl]-3-methoxyphenyl]-morpholin-4-ylmethanone;[2-fluoro-5-methoxy-4-[[4-(methylamino)-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]phenyl]-morpholin-4-ylmethanone (CID 158714358) is [4-[[5-chloro-4-(ethylamino)-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]-3-methoxyphenyl]-morpholin-4-ylmethanone;4-[5-chloro-2-[[2-methoxy-4-(morpholine-4-carbonyl)phenyl]methyl]-7H-cyclopenta[d]pyrimidin-4-yl]piperazin-2-one;[4-[[5-chloro-4-(methylamino)-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]-3-methoxyphenyl]-morpholin-4-ylmethanone;[4-[[5-chloro-4-(propylamino)-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]-3-methoxyphenyl]-morpholin-4-ylmethanone;[4-[(5-chloro-7H-pyrrolo[2,3-d]pyrimidin-2-yl)amino]-3-methoxyphenyl]-morpholin-4-ylmethanone;[4-[[4-(cyclopropylamino)-7H-cyclopenta[d]pyrimidin-2-yl]methyl]-3-methoxyphenyl]-morpholin-4-ylmethanone;[2-fluoro-5-methoxy-4-[[4-(methylamino)-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]phenyl]-morpholin-4-ylmethanone.
What is the SMILES notation for [4-[[5-chloro-4-(ethylamino)-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]-3-methoxyphenyl]-morpholin-4-ylmethanone;4-[5-chloro-2-[[2-methoxy-4-(morpholine-4-carbonyl)phenyl]methyl]-7H-cyclopenta[d]pyrimidin-4-yl]piperazin-2-one;[4-[[5-chloro-4-(methylamino)-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]-3-methoxyphenyl]-morpholin-4-ylmethanone;[4-[[5-chloro-4-(propylamino)-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]-3-methoxyphenyl]-morpholin-4-ylmethanone;[4-[(5-chloro-7H-pyrrolo[2,3-d]pyrimidin-2-yl)amino]-3-methoxyphenyl]-morpholin-4-ylmethanone;[4-[[4-(cyclopropylamino)-7H-cyclopenta[d]pyrimidin-2-yl]methyl]-3-methoxyphenyl]-morpholin-4-ylmethanone;[2-fluoro-5-methoxy-4-[[4-(methylamino)-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]phenyl]-morpholin-4-ylmethanone?
The canonical SMILES for [4-[[5-chloro-4-(ethylamino)-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]-3-methoxyphenyl]-morpholin-4-ylmethanone;4-[5-chloro-2-[[2-methoxy-4-(morpholine-4-carbonyl)phenyl]methyl]-7H-cyclopenta[d]pyrimidin-4-yl]piperazin-2-one;[4-[[5-chloro-4-(methylamino)-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]-3-methoxyphenyl]-morpholin-4-ylmethanone;[4-[[5-chloro-4-(propylamino)-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]-3-methoxyphenyl]-morpholin-4-ylmethanone;[4-[(5-chloro-7H-pyrrolo[2,3-d]pyrimidin-2-yl)amino]-3-methoxyphenyl]-morpholin-4-ylmethanone;[4-[[4-(cyclopropylamino)-7H-cyclopenta[d]pyrimidin-2-yl]methyl]-3-methoxyphenyl]-morpholin-4-ylmethanone;[2-fluoro-5-methoxy-4-[[4-(methylamino)-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]phenyl]-morpholin-4-ylmethanone is CCCNc1nc(Nc2ccc(C(=O)N3CCOCC3)cc2OC)nc2[nH]cc(Cl)c12.CCNc1nc(Nc2ccc(C(=O)N3CCOCC3)cc2OC)nc2[nH]cc(Cl)c12.CNc1nc(Nc2cc(F)c(C(=O)N3CCOCC3)cc2OC)nc2[nH]ccc12.CNc1nc(Nc2ccc(C(=O)N3CCOCC3)cc2OC)nc2[nH]cc(Cl)c12.COc1cc(C(=O)N2CCOCC2)ccc1Cc1nc2c(c(N3CCNC(=O)C3)n1)C(Cl)=CC2.COc1cc(C(=O)N2CCOCC2)ccc1Cc1nc2c(c(NC3CC3)n1)C=CC2.COc1cc(C(=O)N2CCOCC2)ccc1Nc1ncc2c(Cl)c[nH]c2n1.
What is the InChIKey of [4-[[5-chloro-4-(ethylamino)-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]-3-methoxyphenyl]-morpholin-4-ylmethanone;4-[5-chloro-2-[[2-methoxy-4-(morpholine-4-carbonyl)phenyl]methyl]-7H-cyclopenta[d]pyrimidin-4-yl]piperazin-2-one;[4-[[5-chloro-4-(methylamino)-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]-3-methoxyphenyl]-morpholin-4-ylmethanone;[4-[[5-chloro-4-(propylamino)-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]-3-methoxyphenyl]-morpholin-4-ylmethanone;[4-[(5-chloro-7H-pyrrolo[2,3-d]pyrimidin-2-yl)amino]-3-methoxyphenyl]-morpholin-4-ylmethanone;[4-[[4-(cyclopropylamino)-7H-cyclopenta[d]pyrimidin-2-yl]methyl]-3-methoxyphenyl]-morpholin-4-ylmethanone;[2-fluoro-5-methoxy-4-[[4-(methylamino)-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]phenyl]-morpholin-4-ylmethanone?
The InChIKey is IJCXINQVJGIEBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26ClN5O4.C23H26N4O3.C21H25ClN6O3.C20H23ClN6O3.C19H21ClN6O3.C19H21FN6O3.C18H18ClN5O3/c1-33-19-12-16(24(32)29-8-10-34-11-9-29)3-2-15(19)13-20-27-18-5-4-17(25)22(18)23(28-20)30-7-6-26-21(31)14-30;1-29-20-13-16(23(28)27-9-11-30-12-10-27)6-5-15(20)14-21-25-19-4-2-3-18(19)22(26-21)24-17-7-8-17;1-3-6-23-18-17-14(22)12-24-19(17)27-21(26-18)25-15-5-4-13(11-16(15)30-2)20(29)28-7-9-31-10-8-28;1-3-22-17-16-13(21)11-23-18(16)26-20(25-17)24-14-5-4-12(10-15(14)29-2)19(28)27-6-8-30-9-7-27;1-21-16-15-12(20)10-22-17(15)25-19(24-16)23-13-4-3-11(9-14(13)28-2)18(27)26-5-7-29-8-6-26;1-21-16-11-3-4-22-17(11)25-19(24-16)23-14-10-13(20)12(9-15(14)28-2)18(27)26-5-7-29-8-6-26;1-26-15-8-11(17(25)24-4-6-27-7-5-24)2-3-14(15)22-18-21-9-12-13(19)10-20-16(12)23-18/h2-4,12H,5-11,13-14H2,1H3,(H,26,31);2-3,5-6,13,17H,4,7-12,14H2,1H3,(H,24,25,26);4-5,11-12H,3,6-10H2,1-2H3,(H3,23,24,25,26,27);4-5,10-11H,3,6-9H2,1-2H3,(H3,22,23,24,25,26);2*3-4,9-10H,5-8H2,1-2H3,(H3,21,22,23,24,25);2-3,8-10H,4-7H2,1H3,(H2,20,21,22,23).
What are the key properties of [4-[[5-chloro-4-(ethylamino)-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]-3-methoxyphenyl]-morpholin-4-ylmethanone;4-[5-chloro-2-[[2-methoxy-4-(morpholine-4-carbonyl)phenyl]methyl]-7H-cyclopenta[d]pyrimidin-4-yl]piperazin-2-one;[4-[[5-chloro-4-(methylamino)-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]-3-methoxyphenyl]-morpholin-4-ylmethanone;[4-[[5-chloro-4-(propylamino)-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]-3-methoxyphenyl]-morpholin-4-ylmethanone;[4-[(5-chloro-7H-pyrrolo[2,3-d]pyrimidin-2-yl)amino]-3-methoxyphenyl]-morpholin-4-ylmethanone;[4-[[4-(cyclopropylamino)-7H-cyclopenta[d]pyrimidin-2-yl]methyl]-3-methoxyphenyl]-morpholin-4-ylmethanone;[2-fluoro-5-methoxy-4-[[4-(methylamino)-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]phenyl]-morpholin-4-ylmethanone?
[4-[[5-chloro-4-(ethylamino)-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]-3-methoxyphenyl]-morpholin-4-ylmethanone;4-[5-chloro-2-[[2-methoxy-4-(morpholine-4-carbonyl)phenyl]methyl]-7H-cyclopenta[d]pyrimidin-4-yl]piperazin-2-one;[4-[[5-chloro-4-(methylamino)-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]-3-methoxyphenyl]-morpholin-4-ylmethanone;[4-[[5-chloro-4-(propylamino)-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]-3-methoxyphenyl]-morpholin-4-ylmethanone;[4-[(5-chloro-7H-pyrrolo[2,3-d]pyrimidin-2-yl)amino]-3-methoxyphenyl]-morpholin-4-ylmethanone;[4-[[4-(cyclopropylamino)-7H-cyclopenta[d]pyrimidin-2-yl]methyl]-3-methoxyphenyl]-morpholin-4-ylmethanone;[2-fluoro-5-methoxy-4-[[4-(methylamino)-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]phenyl]-morpholin-4-ylmethanone has a molecular weight of 2971.37 g/mol, XLogP of 19.31, 38 rotatable bonds, 16 hydrogen bond donors, and 47 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[[5-chloro-4-(ethylamino)-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]-3-methoxyphenyl]-morpholin-4-ylmethanone;4-[5-chloro-2-[[2-methoxy-4-(morpholine-4-carbonyl)phenyl]methyl]-7H-cyclopenta[d]pyrimidin-4-yl]piperazin-2-one;[4-[[5-chloro-4-(methylamino)-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]-3-methoxyphenyl]-morpholin-4-ylmethanone;[4-[[5-chloro-4-(propylamino)-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]-3-methoxyphenyl]-morpholin-4-ylmethanone;[4-[(5-chloro-7H-pyrrolo[2,3-d]pyrimidin-2-yl)amino]-3-methoxyphenyl]-morpholin-4-ylmethanone;[4-[[4-(cyclopropylamino)-7H-cyclopenta[d]pyrimidin-2-yl]methyl]-3-methoxyphenyl]-morpholin-4-ylmethanone;[2-fluoro-5-methoxy-4-[[4-(methylamino)-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]phenyl]-morpholin-4-ylmethanone is sourced from PubChem (CID 158714358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).