4-[(6R)-7-(3,4-dichlorobenzoyl)-6-methyl-4-oxo-2-[[3-(1H-1,2,4-triazol-5-yl)phenyl]methylamino]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-3-yl]-N-methylbenzamide

C32H28Cl2N8O3 — CID 155113153

IUPAC4-[(6R)-7-(3,4-dichlorobenzoyl)-6-methyl-4-oxo-2-[[3-(1H-1,2,4-triazol-5-yl)phenyl]methylamino]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-3-yl]-N-methylbenzamide
SMILESCNC(=O)c1ccc(-n2c(NCc3cccc(-c4ncn[nH]4)c3)nc3c(c2=O)C[C@@H](C)N(C(=O)c2ccc(Cl)c(Cl)c2)C3)cc1
InChIInChI=1S/C32H28Cl2N8O3/c1-18-12-24-27(16-41(18)30(44)22-8-11-25(33)26(34)14-22)39-32(36-15-19-4-3-5-21(13-19)28-37-17-38-40-28)42(31(24)45)23-9-6-20(7-10-23)29(43)35-2/h3-11,13-14,17-18H,12,15-16H2,1-2H3,(H,35,43)(H,36,39)(H,37,38,40)/t18-/m1/s1
InChIKeyGNFWEHXEZOYEPM-GOSISDBHSA-N
MW643.54 g/mol
LogP4.88
Rot. Bonds7

About 4-[(6R)-7-(3,4-dichlorobenzoyl)-6-methyl-4-oxo-2-[[3-(1H-1,2,4-triazol-5-yl)phenyl]methylamino]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-3-yl]-N-methylbenzamide

4-[(6R)-7-(3,4-dichlorobenzoyl)-6-methyl-4-oxo-2-[[3-(1H-1,2,4-triazol-5-yl)phenyl]methylamino]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-3-yl]-N-methylbenzamide (PubChem CID 155113153) has the molecular formula C32H28Cl2N8O3 and a molecular weight of 643.54 g/mol. Its IUPAC name is 4-[(6R)-7-(3,4-dichlorobenzoyl)-6-methyl-4-oxo-2-[[3-(1H-1,2,4-triazol-5-yl)phenyl]methylamino]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-3-yl]-N-methylbenzamide.

Molecular Properties

Compound Name4-[(6R)-7-(3,4-dichlorobenzoyl)-6-methyl-4-oxo-2-[[3-(1H-1,2,4-triazol-5-yl)phenyl]methylamino]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-3-yl]-N-methylbenzamide
PubChem CID155113153
Molecular FormulaC32H28Cl2N8O3
Molecular Weight643.54 g/mol
Exact Mass642.17
IUPAC Name4-[(6R)-7-(3,4-dichlorobenzoyl)-6-methyl-4-oxo-2-[[3-(1H-1,2,4-triazol-5-yl)phenyl]methylamino]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-3-yl]-N-methylbenzamide
SMILESCNC(=O)c1ccc(-n2c(NCc3cccc(-c4ncn[nH]4)c3)nc3c(c2=O)C[C@@H](C)N(C(=O)c2ccc(Cl)c(Cl)c2)C3)cc1
InChIInChI=1S/C32H28Cl2N8O3/c1-18-12-24-27(16-41(18)30(44)22-8-11-25(33)26(34)14-22)39-32(36-15-19-4-3-5-21(13-19)28-37-17-38-40-28)42(31(24)45)23-9-6-20(7-10-23)29(43)35-2/h3-11,13-14,17-18H,12,15-16H2,1-2H3,(H,35,43)(H,36,39)(H,37,38,40)/t18-/m1/s1
InChIKeyGNFWEHXEZOYEPM-GOSISDBHSA-N
XLogP4.88
TPSA137.90 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms45
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500643.54
LogP ≤ 54.88
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Analyze 4-[(6R)-7-(3,4-dichlorobenzoyl)-6-methyl-4-oxo-2-[[3-(1H-1,2,4-triazol-5-yl)phenyl]methylamino]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-3-yl]-N-methylbenzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-[(6R)-7-(3,4-dichlorobenzoyl)-6-methyl-4-oxo-2-[[3-(1H-1,2,4-triazol-5-yl)phenyl]methylamino]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-3-yl]-N-methylbenzamide?
The IUPAC name of 4-[(6R)-7-(3,4-dichlorobenzoyl)-6-methyl-4-oxo-2-[[3-(1H-1,2,4-triazol-5-yl)phenyl]methylamino]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-3-yl]-N-methylbenzamide (CID 155113153) is 4-[(6R)-7-(3,4-dichlorobenzoyl)-6-methyl-4-oxo-2-[[3-(1H-1,2,4-triazol-5-yl)phenyl]methylamino]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-3-yl]-N-methylbenzamide.
What is the SMILES notation for 4-[(6R)-7-(3,4-dichlorobenzoyl)-6-methyl-4-oxo-2-[[3-(1H-1,2,4-triazol-5-yl)phenyl]methylamino]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-3-yl]-N-methylbenzamide?
The canonical SMILES for 4-[(6R)-7-(3,4-dichlorobenzoyl)-6-methyl-4-oxo-2-[[3-(1H-1,2,4-triazol-5-yl)phenyl]methylamino]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-3-yl]-N-methylbenzamide is CNC(=O)c1ccc(-n2c(NCc3cccc(-c4ncn[nH]4)c3)nc3c(c2=O)C[C@@H](C)N(C(=O)c2ccc(Cl)c(Cl)c2)C3)cc1.
What is the InChIKey of 4-[(6R)-7-(3,4-dichlorobenzoyl)-6-methyl-4-oxo-2-[[3-(1H-1,2,4-triazol-5-yl)phenyl]methylamino]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-3-yl]-N-methylbenzamide?
The InChIKey is GNFWEHXEZOYEPM-GOSISDBHSA-N. The full InChI is InChI=1S/C32H28Cl2N8O3/c1-18-12-24-27(16-41(18)30(44)22-8-11-25(33)26(34)14-22)39-32(36-15-19-4-3-5-21(13-19)28-37-17-38-40-28)42(31(24)45)23-9-6-20(7-10-23)29(43)35-2/h3-11,13-14,17-18H,12,15-16H2,1-2H3,(H,35,43)(H,36,39)(H,37,38,40)/t18-/m1/s1.
What are the key properties of 4-[(6R)-7-(3,4-dichlorobenzoyl)-6-methyl-4-oxo-2-[[3-(1H-1,2,4-triazol-5-yl)phenyl]methylamino]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-3-yl]-N-methylbenzamide?
4-[(6R)-7-(3,4-dichlorobenzoyl)-6-methyl-4-oxo-2-[[3-(1H-1,2,4-triazol-5-yl)phenyl]methylamino]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-3-yl]-N-methylbenzamide has a molecular weight of 643.54 g/mol, XLogP of 4.88, 7 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(6R)-7-(3,4-dichlorobenzoyl)-6-methyl-4-oxo-2-[[3-(1H-1,2,4-triazol-5-yl)phenyl]methylamino]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-3-yl]-N-methylbenzamide is sourced from PubChem (CID 155113153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).