(2S)-1-(2-chloropyrido[2,3-d]pyrimidin-4-yl)pyrrolidine-2-carboxamide;2,4-dichloropyrido[2,3-d]pyrimidine;(2S)-1-[2-[[1-(3-methoxy-4,5-dimethylphenyl)imidazol-4-yl]amino]pyrido[2,3-d]pyrimidin-4-yl]pyrrolidine-2-carboxamide;(2S)-pyrrolidine-2-carboxamide;1-(3,4,5-trimethoxyphenyl)imidazol-4-amine

C60H66Cl3N21O7 — CID 167536535

IUPAC(2S)-1-(2-chloropyrido[2,3-d]pyrimidin-4-yl)pyrrolidine-2-carboxamide;2,4-dichloropyrido[2,3-d]pyrimidine;(2S)-1-[2-[[1-(3-methoxy-4,5-dimethylphenyl)imidazol-4-yl]amino]pyrido[2,3-d]pyrimidin-4-yl]pyrrolidine-2-carboxamide;(2S)-pyrrolidine-2-carboxamide;1-(3,4,5-trimethoxyphenyl)imidazol-4-amine
SMILESCOc1cc(-n2cnc(N)c2)cc(OC)c1OC.COc1cc(-n2cnc(Nc3nc(N4CCC[C@H]4C(N)=O)c4cccnc4n3)c2)cc(C)c1C.Clc1nc(Cl)c2cccnc2n1.NC(=O)[C@@H]1CCCN1.NC(=O)[C@@H]1CCCN1c1nc(Cl)nc2ncccc12
InChIInChI=1S/C24H26N8O2.C12H12ClN5O.C12H15N3O3.C7H3Cl2N3.C5H10N2O/c1-14-10-16(11-19(34-3)15(14)2)31-12-20(27-13-31)28-24-29-22-17(6-4-8-26-22)23(30-24)32-9-5-7-18(32)21(25)33;13-12-16-10-7(3-1-5-15-10)11(17-12)18-6-2-4-8(18)9(14)19;1-16-9-4-8(15-6-11(13)14-7-15)5-10(17-2)12(9)18-3;8-5-4-2-1-3-10-6(4)12-7(9)11-5;6-5(8)4-2-1-3-7-4/h4,6,8,10-13,18H,5,7,9H2,1-3H3,(H2,25,33)(H,26,28,29,30);1,3,5,8H,2,4,6H2,(H2,14,19);4-7H,13H2,1-3H3;1-3H;4,7H,1-3H2,(H2,6,8)/t18-;8-;;;4-/m00..0/s1
InChIKeyAQAUZBKDPONOJW-USJKWVABSA-N
MW1299.69 g/mol
LogP7.20
Rot. Bonds13

About (2S)-1-(2-chloropyrido[2,3-d]pyrimidin-4-yl)pyrrolidine-2-carboxamide;2,4-dichloropyrido[2,3-d]pyrimidine;(2S)-1-[2-[[1-(3-methoxy-4,5-dimethylphenyl)imidazol-4-yl]amino]pyrido[2,3-d]pyrimidin-4-yl]pyrrolidine-2-carboxamide;(2S)-pyrrolidine-2-carboxamide;1-(3,4,5-trimethoxyphenyl)imidazol-4-amine

(2S)-1-(2-chloropyrido[2,3-d]pyrimidin-4-yl)pyrrolidine-2-carboxamide;2,4-dichloropyrido[2,3-d]pyrimidine;(2S)-1-[2-[[1-(3-methoxy-4,5-dimethylphenyl)imidazol-4-yl]amino]pyrido[2,3-d]pyrimidin-4-yl]pyrrolidine-2-carboxamide;(2S)-pyrrolidine-2-carboxamide;1-(3,4,5-trimethoxyphenyl)imidazol-4-amine (PubChem CID 167536535) has the molecular formula C60H66Cl3N21O7 and a molecular weight of 1299.69 g/mol. Its IUPAC name is (2S)-1-(2-chloropyrido[2,3-d]pyrimidin-4-yl)pyrrolidine-2-carboxamide;2,4-dichloropyrido[2,3-d]pyrimidine;(2S)-1-[2-[[1-(3-methoxy-4,5-dimethylphenyl)imidazol-4-yl]amino]pyrido[2,3-d]pyrimidin-4-yl]pyrrolidine-2-carboxamide;(2S)-pyrrolidine-2-carboxamide;1-(3,4,5-trimethoxyphenyl)imidazol-4-amine.

Molecular Properties

Compound Name(2S)-1-(2-chloropyrido[2,3-d]pyrimidin-4-yl)pyrrolidine-2-carboxamide;2,4-dichloropyrido[2,3-d]pyrimidine;(2S)-1-[2-[[1-(3-methoxy-4,5-dimethylphenyl)imidazol-4-yl]amino]pyrido[2,3-d]pyrimidin-4-yl]pyrrolidine-2-carboxamide;(2S)-pyrrolidine-2-carboxamide;1-(3,4,5-trimethoxyphenyl)imidazol-4-amine
PubChem CID167536535
Molecular FormulaC60H66Cl3N21O7
Molecular Weight1299.69 g/mol
Exact Mass1297.45
IUPAC Name(2S)-1-(2-chloropyrido[2,3-d]pyrimidin-4-yl)pyrrolidine-2-carboxamide;2,4-dichloropyrido[2,3-d]pyrimidine;(2S)-1-[2-[[1-(3-methoxy-4,5-dimethylphenyl)imidazol-4-yl]amino]pyrido[2,3-d]pyrimidin-4-yl]pyrrolidine-2-carboxamide;(2S)-pyrrolidine-2-carboxamide;1-(3,4,5-trimethoxyphenyl)imidazol-4-amine
SMILESCOc1cc(-n2cnc(N)c2)cc(OC)c1OC.COc1cc(-n2cnc(Nc3nc(N4CCC[C@H]4C(N)=O)c4cccnc4n3)c2)cc(C)c1C.Clc1nc(Cl)c2cccnc2n1.NC(=O)[C@@H]1CCCN1.NC(=O)[C@@H]1CCCN1c1nc(Cl)nc2ncccc12
InChIInChI=1S/C24H26N8O2.C12H12ClN5O.C12H15N3O3.C7H3Cl2N3.C5H10N2O/c1-14-10-16(11-19(34-3)15(14)2)31-12-20(27-13-31)28-24-29-22-17(6-4-8-26-22)23(30-24)32-9-5-7-18(32)21(25)33;13-12-16-10-7(3-1-5-15-10)11(17-12)18-6-2-4-8(18)9(14)19;1-16-9-4-8(15-6-11(13)14-7-15)5-10(17-2)12(9)18-3;8-5-4-2-1-3-10-6(4)12-7(9)11-5;6-5(8)4-2-1-3-7-4/h4,6,8,10-13,18H,5,7,9H2,1-3H3,(H2,25,33)(H,26,28,29,30);1,3,5,8H,2,4,6H2,(H2,14,19);4-7H,13H2,1-3H3;1-3H;4,7H,1-3H2,(H2,6,8)/t18-;8-;;;4-/m00..0/s1
InChIKeyAQAUZBKDPONOJW-USJKWVABSA-N
XLogP7.20
TPSA374.40 Ų
H-Bond Donors6
H-Bond Acceptors25
Rotatable Bonds13
Heavy Atoms91
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001299.69
LogP ≤ 57.20
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1025

Analyze (2S)-1-(2-chloropyrido[2,3-d]pyrimidin-4-yl)pyrrolidine-2-carboxamide;2,4-dichloropyrido[2,3-d]pyrimidine;(2S)-1-[2-[[1-(3-methoxy-4,5-dimethylphenyl)imidazol-4-yl]amino]pyrido[2,3-d]pyrimidin-4-yl]pyrrolidine-2-carboxamide;(2S)-pyrrolidine-2-carboxamide;1-(3,4,5-trimethoxyphenyl)imidazol-4-amine with MolForge

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Related Compounds

[(2S)-1-[2-chloro-7-(trifluoromethyl)quinazolin-4-yl]pyrrolidin-2-yl]methanol;2,4-dichloro-7-(trifluoromethyl)quinazoline;[(2S)-1-[2-[[1-(3-methoxy-4,5-dimethylphenyl)imidazol-4-yl]amino]-7-(trifluoromethyl)quinazolin-4-yl]pyrrolidin-2-yl]methanol;[(2S)-pyrrolidin-2-yl]methanol;1-(3,4,5-trimethoxyphenyl)imidazol-4-amine
CID 167590701
tert-butyl 2-chloro-4-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-7-carboxylate;tert-butyl 2,4-dichloro-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-7-carboxylate;tert-butyl 4-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-2-[[1-(3-methoxy-4,5-dimethylphenyl)imidazol-4-yl]amino]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-7-carboxylate;dichloromethane;[(2S)-1-[2-[[1-(3-methoxy-4,5-dimethylphenyl)imidazol-4-yl]amino]-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-yl]pyrrolidin-2-yl]methanol;[(2S)-pyrrolidin-2-yl]methanol;2,2,2-trifluoroacetic acid;1-(3,4,5-trimethoxyphenyl)imidazol-4-amine
CID 167590725
tert-butyl 4-[(2R)-2-carbamoylcyclopentyl]-2-chloro-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-7-carboxylate;tert-butyl 4-[(2S)-2-carbamoylpyrrolidin-1-yl]-2-[[1-(3-methoxy-4,5-dimethylphenyl)imidazol-4-yl]amino]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-7-carboxylate;tert-butyl 2,4-dichloro-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-7-carboxylate;dichloromethane;(2S)-1-[2-[[1-(3-methoxy-4,5-dimethylphenyl)imidazol-4-yl]amino]-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-yl]pyrrolidine-2-carboxamide;(2S)-pyrrolidine-2-carboxamide;2,2,2-trifluoroacetic acid;1-(3,4,5-trimethoxyphenyl)imidazol-4-amine
CID 167594779
tert-butyl 4-[(2S)-2-carbamoylpyrrolidin-1-yl]-2-chloro-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxylate;tert-butyl 4-[(2S)-2-carbamoylpyrrolidin-1-yl]-2-[[1-(3-methoxy-4,5-dimethylphenyl)imidazol-4-yl]amino]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxylate;tert-butyl 2,4-dichloro-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxylate;dichloromethane;(2S)-1-[2-[[1-(3-methoxy-4,5-dimethylphenyl)imidazol-4-yl]amino]-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-yl]pyrrolidine-2-carboxamide;(2S)-pyrrolidine-2-carboxamide;2,2,2-trifluoroacetic acid;1-(3,4,5-trimethoxyphenyl)imidazol-4-amine
CID 167702723
7-(2-chloro-4-pyridinyl)-N-(4,5-dimethoxy-2-methylphenyl)pyrrolo[2,3-d]pyrimidin-2-amine;N-ethyl-2-[3-[2-(3,4,5-trimethoxyanilino)pyrrolo[2,3-d]pyrimidin-7-yl]phenyl]acetamide;N-(4-methoxy-2-methylphenyl)-7-(6-methoxy-3-pyridinyl)pyrrolo[2,3-d]pyrimidin-2-amine;7-(4-methylphenyl)-N-(3,4,5-trimethoxyphenyl)pyrrolo[2,3-d]pyrimidin-2-amine;N-(2-morpholin-4-ylethyl)-3-[2-(3,4,5-trimethoxyanilino)pyrrolo[2,3-d]pyrimidin-7-yl]benzamide
CID 160251869
7-(6-chloro-3-pyridinyl)-N-(5-methoxy-2-methylphenyl)pyrrolo[2,3-d]pyrimidin-2-amine;N-[4-(dimethylamino)butyl]-3-[2-(3,4,5-trimethoxyanilino)pyrrolo[2,3-d]pyrimidin-7-yl]benzamide;N-(2-ethylphenyl)-7-pyridin-2-ylpyrrolo[2,3-d]pyrimidin-2-amine;7-[(2-methoxyphenyl)methyl]-N-(3,4,5-trimethoxyphenyl)pyrrolo[2,3-d]pyrimidin-2-amine
CID 162042232
2-chloro-5-fluoro-N-[1-(3,4,5-trimethoxyphenyl)imidazol-4-yl]quinazolin-4-amine;2,4-dichloro-5-fluoroquinazoline;(2S)-1-[5-fluoro-4-[[1-(3,4,5-trimethoxyphenyl)imidazol-4-yl]amino]quinazolin-2-yl]pyrrolidine-2-carboxamide;(2S)-pyrrolidine-2-carboxamide;1-(3,4,5-trimethoxyphenyl)imidazol-4-amine
CID 167532113
6-chloro-1,3-dimethyl-N-[1-(3,4,5-trimethoxyphenyl)imidazol-4-yl]pyrazolo[3,4-d]pyrimidin-4-amine;4,6-dichloro-1,3-dimethylpyrazolo[5,4-d]pyrimidine;(2S)-1-[1,3-dimethyl-4-[[1-(3,4,5-trimethoxyphenyl)imidazol-4-yl]amino]pyrazolo[3,4-d]pyrimidin-6-yl]pyrrolidine-2-carboxamide;(2S)-pyrrolidine-2-carboxamide;1-(3,4,5-trimethoxyphenyl)imidazol-4-amine
CID 167533799
2-chloro-N-[1-(3,4,5-trimethoxyphenyl)imidazol-4-yl]-5,6,7,8-tetrahydroquinazolin-4-amine;(2R)-pyrrolidine-2-carboxamide;(2R)-1-[4-[[1-(3,4,5-trimethoxyphenyl)imidazol-4-yl]amino]-5,6,7,8-tetrahydroquinazolin-2-yl]pyrrolidine-2-carboxamide
CID 167537321
2-chloro-N-[1-(3,4,5-trimethoxyphenyl)imidazol-4-yl]-5,6,7,8-tetrahydroquinazolin-4-amine;(2S)-pyrrolidine-2-carboxamide;(2S)-1-[4-[[1-(3,4,5-trimethoxyphenyl)imidazol-4-yl]amino]-5,6,7,8-tetrahydroquinazolin-2-yl]pyrrolidine-2-carboxamide
CID 167537322
[(2S)-1-(6-chloro-1-methylpyrazolo[5,4-d]pyrimidin-4-yl)pyrrolidin-2-yl]methanol;4,6-dichloro-1-methylpyrazolo[5,4-d]pyrimidine;[(2S)-1-[6-[[1-(3-methoxy-4,5-dimethylphenyl)imidazol-4-yl]amino]-1-methylpyrazolo[5,4-d]pyrimidin-4-yl]pyrrolidin-2-yl]methanol;[(2S)-pyrrolidin-2-yl]methanol;1-(3,4,5-trimethoxyphenyl)imidazol-4-amine
CID 167538804
[(1R,3S,5R)-2-azabicyclo[3.1.0]hexan-3-yl]methanol;[(1R,3S,5R)-2-(2-chloro-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)-2-azabicyclo[3.1.0]hexan-3-yl]methanol;2,4-dichloro-6,7-dihydro-5H-cyclopenta[d]pyrimidine;[(1R,3S,5R)-2-[2-[[1-(3-methoxy-4,5-dimethylphenyl)imidazol-4-yl]amino]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]-2-azabicyclo[3.1.0]hexan-3-yl]methanol;1-(3,4,5-trimethoxyphenyl)imidazol-4-amine
CID 167542265

Frequently Asked Questions

What is the IUPAC name of (2S)-1-(2-chloropyrido[2,3-d]pyrimidin-4-yl)pyrrolidine-2-carboxamide;2,4-dichloropyrido[2,3-d]pyrimidine;(2S)-1-[2-[[1-(3-methoxy-4,5-dimethylphenyl)imidazol-4-yl]amino]pyrido[2,3-d]pyrimidin-4-yl]pyrrolidine-2-carboxamide;(2S)-pyrrolidine-2-carboxamide;1-(3,4,5-trimethoxyphenyl)imidazol-4-amine?
The IUPAC name of (2S)-1-(2-chloropyrido[2,3-d]pyrimidin-4-yl)pyrrolidine-2-carboxamide;2,4-dichloropyrido[2,3-d]pyrimidine;(2S)-1-[2-[[1-(3-methoxy-4,5-dimethylphenyl)imidazol-4-yl]amino]pyrido[2,3-d]pyrimidin-4-yl]pyrrolidine-2-carboxamide;(2S)-pyrrolidine-2-carboxamide;1-(3,4,5-trimethoxyphenyl)imidazol-4-amine (CID 167536535) is (2S)-1-(2-chloropyrido[2,3-d]pyrimidin-4-yl)pyrrolidine-2-carboxamide;2,4-dichloropyrido[2,3-d]pyrimidine;(2S)-1-[2-[[1-(3-methoxy-4,5-dimethylphenyl)imidazol-4-yl]amino]pyrido[2,3-d]pyrimidin-4-yl]pyrrolidine-2-carboxamide;(2S)-pyrrolidine-2-carboxamide;1-(3,4,5-trimethoxyphenyl)imidazol-4-amine.
What is the SMILES notation for (2S)-1-(2-chloropyrido[2,3-d]pyrimidin-4-yl)pyrrolidine-2-carboxamide;2,4-dichloropyrido[2,3-d]pyrimidine;(2S)-1-[2-[[1-(3-methoxy-4,5-dimethylphenyl)imidazol-4-yl]amino]pyrido[2,3-d]pyrimidin-4-yl]pyrrolidine-2-carboxamide;(2S)-pyrrolidine-2-carboxamide;1-(3,4,5-trimethoxyphenyl)imidazol-4-amine?
The canonical SMILES for (2S)-1-(2-chloropyrido[2,3-d]pyrimidin-4-yl)pyrrolidine-2-carboxamide;2,4-dichloropyrido[2,3-d]pyrimidine;(2S)-1-[2-[[1-(3-methoxy-4,5-dimethylphenyl)imidazol-4-yl]amino]pyrido[2,3-d]pyrimidin-4-yl]pyrrolidine-2-carboxamide;(2S)-pyrrolidine-2-carboxamide;1-(3,4,5-trimethoxyphenyl)imidazol-4-amine is COc1cc(-n2cnc(N)c2)cc(OC)c1OC.COc1cc(-n2cnc(Nc3nc(N4CCC[C@H]4C(N)=O)c4cccnc4n3)c2)cc(C)c1C.Clc1nc(Cl)c2cccnc2n1.NC(=O)[C@@H]1CCCN1.NC(=O)[C@@H]1CCCN1c1nc(Cl)nc2ncccc12.
What is the InChIKey of (2S)-1-(2-chloropyrido[2,3-d]pyrimidin-4-yl)pyrrolidine-2-carboxamide;2,4-dichloropyrido[2,3-d]pyrimidine;(2S)-1-[2-[[1-(3-methoxy-4,5-dimethylphenyl)imidazol-4-yl]amino]pyrido[2,3-d]pyrimidin-4-yl]pyrrolidine-2-carboxamide;(2S)-pyrrolidine-2-carboxamide;1-(3,4,5-trimethoxyphenyl)imidazol-4-amine?
The InChIKey is AQAUZBKDPONOJW-USJKWVABSA-N. The full InChI is InChI=1S/C24H26N8O2.C12H12ClN5O.C12H15N3O3.C7H3Cl2N3.C5H10N2O/c1-14-10-16(11-19(34-3)15(14)2)31-12-20(27-13-31)28-24-29-22-17(6-4-8-26-22)23(30-24)32-9-5-7-18(32)21(25)33;13-12-16-10-7(3-1-5-15-10)11(17-12)18-6-2-4-8(18)9(14)19;1-16-9-4-8(15-6-11(13)14-7-15)5-10(17-2)12(9)18-3;8-5-4-2-1-3-10-6(4)12-7(9)11-5;6-5(8)4-2-1-3-7-4/h4,6,8,10-13,18H,5,7,9H2,1-3H3,(H2,25,33)(H,26,28,29,30);1,3,5,8H,2,4,6H2,(H2,14,19);4-7H,13H2,1-3H3;1-3H;4,7H,1-3H2,(H2,6,8)/t18-;8-;;;4-/m00..0/s1.
What are the key properties of (2S)-1-(2-chloropyrido[2,3-d]pyrimidin-4-yl)pyrrolidine-2-carboxamide;2,4-dichloropyrido[2,3-d]pyrimidine;(2S)-1-[2-[[1-(3-methoxy-4,5-dimethylphenyl)imidazol-4-yl]amino]pyrido[2,3-d]pyrimidin-4-yl]pyrrolidine-2-carboxamide;(2S)-pyrrolidine-2-carboxamide;1-(3,4,5-trimethoxyphenyl)imidazol-4-amine?
(2S)-1-(2-chloropyrido[2,3-d]pyrimidin-4-yl)pyrrolidine-2-carboxamide;2,4-dichloropyrido[2,3-d]pyrimidine;(2S)-1-[2-[[1-(3-methoxy-4,5-dimethylphenyl)imidazol-4-yl]amino]pyrido[2,3-d]pyrimidin-4-yl]pyrrolidine-2-carboxamide;(2S)-pyrrolidine-2-carboxamide;1-(3,4,5-trimethoxyphenyl)imidazol-4-amine has a molecular weight of 1299.69 g/mol, XLogP of 7.20, 13 rotatable bonds, 6 hydrogen bond donors, and 25 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-(2-chloropyrido[2,3-d]pyrimidin-4-yl)pyrrolidine-2-carboxamide;2,4-dichloropyrido[2,3-d]pyrimidine;(2S)-1-[2-[[1-(3-methoxy-4,5-dimethylphenyl)imidazol-4-yl]amino]pyrido[2,3-d]pyrimidin-4-yl]pyrrolidine-2-carboxamide;(2S)-pyrrolidine-2-carboxamide;1-(3,4,5-trimethoxyphenyl)imidazol-4-amine is sourced from PubChem (CID 167536535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).