(2S)-1-(7-benzyl-2-chloro-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl)pyrrolidine-2-carboxamide;7-benzyl-2,4-dichloro-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine;(2S)-1-[7-benzyl-2-[[1-(3-methoxy-4,5-dimethylphenyl)imidazol-4-yl]amino]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]pyrrolidine-2-carboxamide;cyclopentanecarboxamide;1-(3,4,5-trimethoxyphenyl)imidazol-4-amine

C82H97Cl3N20O7 — CID 167548501

About (2S)-1-(7-benzyl-2-chloro-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl)pyrrolidine-2-carboxamide;7-benzyl-2,4-dichloro-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine;(2S)-1-[7-benzyl-2-[[1-(3-methoxy-4,5-dimethylphenyl)imidazol-4-yl]amino]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]pyrrolidine-2-carboxamide;cyclopentanecarboxamide;1-(3,4,5-trimethoxyphenyl)imidazol-4-amine

(2S)-1-(7-benzyl-2-chloro-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl)pyrrolidine-2-carboxamide;7-benzyl-2,4-dichloro-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine;(2S)-1-[7-benzyl-2-[[1-(3-methoxy-4,5-dimethylphenyl)imidazol-4-yl]amino]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]pyrrolidine-2-carboxamide;cyclopentanecarboxamide;1-(3,4,5-trimethoxyphenyl)imidazol-4-amine (PubChem CID 167548501) has the molecular formula C82H97Cl3N20O7 and a molecular weight of 1581.17 g/mol. Its IUPAC name is (2S)-1-(7-benzyl-2-chloro-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl)pyrrolidine-2-carboxamide;7-benzyl-2,4-dichloro-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine;(2S)-1-[7-benzyl-2-[[1-(3-methoxy-4,5-dimethylphenyl)imidazol-4-yl]amino]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]pyrrolidine-2-carboxamide;cyclopentanecarboxamide;1-(3,4,5-trimethoxyphenyl)imidazol-4-amine.

Molecular Properties

• Compound Name: (2S)-1-(7-benzyl-2-chloro-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl)pyrrolidine-2-carboxamide;7-benzyl-2,4-dichloro-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine;(2S)-1-[7-benzyl-2-[[1-(3-methoxy-4,5-dimethylphenyl)imidazol-4-yl]amino]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]pyrrolidine-2-carboxamide;cyclopentanecarboxamide;1-(3,4,5-trimethoxyphenyl)imidazol-4-amine
• PubChem CID: 167548501
• Molecular Formula: C82H97Cl3N20O7
• Molecular Weight: 1581.17 g/mol
• Exact Mass: 1578.69
• IUPAC Name: (2S)-1-(7-benzyl-2-chloro-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl)pyrrolidine-2-carboxamide;7-benzyl-2,4-dichloro-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine;(2S)-1-[7-benzyl-2-[[1-(3-methoxy-4,5-dimethylphenyl)imidazol-4-yl]amino]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]pyrrolidine-2-carboxamide;cyclopentanecarboxamide;1-(3,4,5-trimethoxyphenyl)imidazol-4-amine
• SMILES: COc1cc(-n2cnc(N)c2)cc(OC)c1OC.COc1cc(-n2cnc(Nc3nc4c(c(N5CCC[C@H]5C(N)=O)n3)CCN(Cc3ccccc3)C4)c2)cc(C)c1C.Clc1nc(Cl)c2c(n1)CN(Cc1ccccc1)CC2.NC(=O)C1CCCC1.NC(=O)[C@@H]1CCCN1c1nc(Cl)nc2c1CCN(Cc1ccccc1)C2
• InChI: InChI=1S/C31H36N8O2.C19H22ClN5O.C14H13Cl2N3.C12H15N3O3.C6H11NO/c1-20-14-23(15-27(41-3)21(20)2)38-18-28(33-19-38)35-31-34-25-17-37(16-22-8-5-4-6-9-22)13-11-24(25)30(36-31)39-12-7-10-26(39)29(32)40;20-19-22-15-12-24(11-13-5-2-1-3-6-13)10-8-14(15)18(23-19)25-9-4-7-16(25)17(21)26;15-13-11-6-7-19(8-10-4-2-1-3-5-10)9-12(11)17-14(16)18-13;1-16-9-4-8(15-6-11(13)14-7-15)5-10(17-2)12(9)18-3;7-6(8)5-3-1-2-4-5/h4-6,8-9,14-15,18-19,26H,7,10-13,16-17H2,1-3H3,(H2,32,40)(H,34,35,36);1-3,5-6,16H,4,7-12H2,(H2,21,26);1-5H,6-9H2;4-7H,13H2,1-3H3;5H,1-4H2,(H2,7,8)/t26-;16-;;;/m00.../s1
• InChIKey: CCIBQEYFZDBXNR-FESPRROUSA-N
• XLogP: 11.67
• TPSA: 333.42 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 24
• Rotatable Bonds: 19
• Heavy Atoms: 112
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1581.17
LogP ≤ 5	11.67
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	24

Frequently Asked Questions

What is the IUPAC name of (2S)-1-(7-benzyl-2-chloro-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl)pyrrolidine-2-carboxamide;7-benzyl-2,4-dichloro-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine;(2S)-1-[7-benzyl-2-[[1-(3-methoxy-4,5-dimethylphenyl)imidazol-4-yl]amino]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]pyrrolidine-2-carboxamide;cyclopentanecarboxamide;1-(3,4,5-trimethoxyphenyl)imidazol-4-amine?

The IUPAC name of (2S)-1-(7-benzyl-2-chloro-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl)pyrrolidine-2-carboxamide;7-benzyl-2,4-dichloro-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine;(2S)-1-[7-benzyl-2-[[1-(3-methoxy-4,5-dimethylphenyl)imidazol-4-yl]amino]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]pyrrolidine-2-carboxamide;cyclopentanecarboxamide;1-(3,4,5-trimethoxyphenyl)imidazol-4-amine (CID 167548501) is (2S)-1-(7-benzyl-2-chloro-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl)pyrrolidine-2-carboxamide;7-benzyl-2,4-dichloro-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine;(2S)-1-[7-benzyl-2-[[1-(3-methoxy-4,5-dimethylphenyl)imidazol-4-yl]amino]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]pyrrolidine-2-carboxamide;cyclopentanecarboxamide;1-(3,4,5-trimethoxyphenyl)imidazol-4-amine.

What is the SMILES notation for (2S)-1-(7-benzyl-2-chloro-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl)pyrrolidine-2-carboxamide;7-benzyl-2,4-dichloro-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine;(2S)-1-[7-benzyl-2-[[1-(3-methoxy-4,5-dimethylphenyl)imidazol-4-yl]amino]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]pyrrolidine-2-carboxamide;cyclopentanecarboxamide;1-(3,4,5-trimethoxyphenyl)imidazol-4-amine?

The canonical SMILES for (2S)-1-(7-benzyl-2-chloro-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl)pyrrolidine-2-carboxamide;7-benzyl-2,4-dichloro-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine;(2S)-1-[7-benzyl-2-[[1-(3-methoxy-4,5-dimethylphenyl)imidazol-4-yl]amino]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]pyrrolidine-2-carboxamide;cyclopentanecarboxamide;1-(3,4,5-trimethoxyphenyl)imidazol-4-amine is COc1cc(-n2cnc(N)c2)cc(OC)c1OC.COc1cc(-n2cnc(Nc3nc4c(c(N5CCC[C@H]5C(N)=O)n3)CCN(Cc3ccccc3)C4)c2)cc(C)c1C.Clc1nc(Cl)c2c(n1)CN(Cc1ccccc1)CC2.NC(=O)C1CCCC1.NC(=O)[C@@H]1CCCN1c1nc(Cl)nc2c1CCN(Cc1ccccc1)C2.

What is the InChIKey of (2S)-1-(7-benzyl-2-chloro-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl)pyrrolidine-2-carboxamide;7-benzyl-2,4-dichloro-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine;(2S)-1-[7-benzyl-2-[[1-(3-methoxy-4,5-dimethylphenyl)imidazol-4-yl]amino]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]pyrrolidine-2-carboxamide;cyclopentanecarboxamide;1-(3,4,5-trimethoxyphenyl)imidazol-4-amine?

The InChIKey is CCIBQEYFZDBXNR-FESPRROUSA-N. The full InChI is InChI=1S/C31H36N8O2.C19H22ClN5O.C14H13Cl2N3.C12H15N3O3.C6H11NO/c1-20-14-23(15-27(41-3)21(20)2)38-18-28(33-19-38)35-31-34-25-17-37(16-22-8-5-4-6-9-22)13-11-24(25)30(36-31)39-12-7-10-26(39)29(32)40;20-19-22-15-12-24(11-13-5-2-1-3-6-13)10-8-14(15)18(23-19)25-9-4-7-16(25)17(21)26;15-13-11-6-7-19(8-10-4-2-1-3-5-10)9-12(11)17-14(16)18-13;1-16-9-4-8(15-6-11(13)14-7-15)5-10(17-2)12(9)18-3;7-6(8)5-3-1-2-4-5/h4-6,8-9,14-15,18-19,26H,7,10-13,16-17H2,1-3H3,(H2,32,40)(H,34,35,36);1-3,5-6,16H,4,7-12H2,(H2,21,26);1-5H,6-9H2;4-7H,13H2,1-3H3;5H,1-4H2,(H2,7,8)/t26-;16-;;;/m00.../s1.

What are the key properties of (2S)-1-(7-benzyl-2-chloro-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl)pyrrolidine-2-carboxamide;7-benzyl-2,4-dichloro-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine;(2S)-1-[7-benzyl-2-[[1-(3-methoxy-4,5-dimethylphenyl)imidazol-4-yl]amino]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]pyrrolidine-2-carboxamide;cyclopentanecarboxamide;1-(3,4,5-trimethoxyphenyl)imidazol-4-amine?

(2S)-1-(7-benzyl-2-chloro-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl)pyrrolidine-2-carboxamide;7-benzyl-2,4-dichloro-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine;(2S)-1-[7-benzyl-2-[[1-(3-methoxy-4,5-dimethylphenyl)imidazol-4-yl]amino]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]pyrrolidine-2-carboxamide;cyclopentanecarboxamide;1-(3,4,5-trimethoxyphenyl)imidazol-4-amine has a molecular weight of 1581.17 g/mol, XLogP of 11.67, 19 rotatable bonds, 5 hydrogen bond donors, and 24 hydrogen bond acceptors.

Where does this data come from?

All data for (2S)-1-(7-benzyl-2-chloro-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl)pyrrolidine-2-carboxamide;7-benzyl-2,4-dichloro-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine;(2S)-1-[7-benzyl-2-[[1-(3-methoxy-4,5-dimethylphenyl)imidazol-4-yl]amino]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]pyrrolidine-2-carboxamide;cyclopentanecarboxamide;1-(3,4,5-trimethoxyphenyl)imidazol-4-amine is sourced from PubChem (CID 167548501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).