N-phenyl-4-[(2-phenyl-4H-imidazol-4-yl)methylamino]-2-pyridin-3-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide

C29H26N8O — CID 71452032

IUPACN-phenyl-4-[(2-phenyl-4H-imidazol-4-yl)methylamino]-2-pyridin-3-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide
SMILESO=C(Nc1ccccc1)N1CCc2nc(-c3cccnc3)nc(NCC3C=NC(c4ccccc4)=N3)c2C1
InChIInChI=1S/C29H26N8O/c38-29(34-22-11-5-2-6-12-22)37-15-13-25-24(19-37)28(36-27(35-25)21-10-7-14-30-16-21)32-18-23-17-31-26(33-23)20-8-3-1-4-9-20/h1-12,14,16-17,23H,13,15,18-19H2,(H,34,38)(H,32,35,36)
InChIKeyJJBLSLONTVGHJO-UHFFFAOYSA-N
MW502.58 g/mol
LogP4.44
Rot. Bonds6

About N-phenyl-4-[(2-phenyl-4H-imidazol-4-yl)methylamino]-2-pyridin-3-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide

N-phenyl-4-[(2-phenyl-4H-imidazol-4-yl)methylamino]-2-pyridin-3-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide (PubChem CID 71452032) has the molecular formula C29H26N8O and a molecular weight of 502.58 g/mol. Its IUPAC name is N-phenyl-4-[(2-phenyl-4H-imidazol-4-yl)methylamino]-2-pyridin-3-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide.

Molecular Properties

Compound NameN-phenyl-4-[(2-phenyl-4H-imidazol-4-yl)methylamino]-2-pyridin-3-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide
PubChem CID71452032
Molecular FormulaC29H26N8O
Molecular Weight502.58 g/mol
Exact Mass502.22
IUPAC NameN-phenyl-4-[(2-phenyl-4H-imidazol-4-yl)methylamino]-2-pyridin-3-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide
SMILESO=C(Nc1ccccc1)N1CCc2nc(-c3cccnc3)nc(NCC3C=NC(c4ccccc4)=N3)c2C1
InChIInChI=1S/C29H26N8O/c38-29(34-22-11-5-2-6-12-22)37-15-13-25-24(19-37)28(36-27(35-25)21-10-7-14-30-16-21)32-18-23-17-31-26(33-23)20-8-3-1-4-9-20/h1-12,14,16-17,23H,13,15,18-19H2,(H,34,38)(H,32,35,36)
InChIKeyJJBLSLONTVGHJO-UHFFFAOYSA-N
XLogP4.44
TPSA107.76 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500502.58
LogP ≤ 54.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze N-phenyl-4-[(2-phenyl-4H-imidazol-4-yl)methylamino]-2-pyridin-3-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide 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 N-phenyl-4-[(2-phenyl-4H-imidazol-4-yl)methylamino]-2-pyridin-3-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide?
The IUPAC name of N-phenyl-4-[(2-phenyl-4H-imidazol-4-yl)methylamino]-2-pyridin-3-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide (CID 71452032) is N-phenyl-4-[(2-phenyl-4H-imidazol-4-yl)methylamino]-2-pyridin-3-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide.
What is the SMILES notation for N-phenyl-4-[(2-phenyl-4H-imidazol-4-yl)methylamino]-2-pyridin-3-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide?
The canonical SMILES for N-phenyl-4-[(2-phenyl-4H-imidazol-4-yl)methylamino]-2-pyridin-3-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide is O=C(Nc1ccccc1)N1CCc2nc(-c3cccnc3)nc(NCC3C=NC(c4ccccc4)=N3)c2C1.
What is the InChIKey of N-phenyl-4-[(2-phenyl-4H-imidazol-4-yl)methylamino]-2-pyridin-3-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide?
The InChIKey is JJBLSLONTVGHJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H26N8O/c38-29(34-22-11-5-2-6-12-22)37-15-13-25-24(19-37)28(36-27(35-25)21-10-7-14-30-16-21)32-18-23-17-31-26(33-23)20-8-3-1-4-9-20/h1-12,14,16-17,23H,13,15,18-19H2,(H,34,38)(H,32,35,36).
What are the key properties of N-phenyl-4-[(2-phenyl-4H-imidazol-4-yl)methylamino]-2-pyridin-3-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide?
N-phenyl-4-[(2-phenyl-4H-imidazol-4-yl)methylamino]-2-pyridin-3-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide has a molecular weight of 502.58 g/mol, XLogP of 4.44, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-phenyl-4-[(2-phenyl-4H-imidazol-4-yl)methylamino]-2-pyridin-3-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide is sourced from PubChem (CID 71452032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).