4-(4-chlorophenyl)-2-cyclopropyl-N-phenyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide

C23H21ClN4O — CID 134794829

IUPAC4-(4-chlorophenyl)-2-cyclopropyl-N-phenyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide
SMILESO=C(Nc1ccccc1)N1CCc2nc(C3CC3)nc(-c3ccc(Cl)cc3)c2C1
InChIInChI=1S/C23H21ClN4O/c24-17-10-8-15(9-11-17)21-19-14-28(23(29)25-18-4-2-1-3-5-18)13-12-20(19)26-22(27-21)16-6-7-16/h1-5,8-11,16H,6-7,12-14H2,(H,25,29)
InChIKeyHICFLDXKSKOZLM-UHFFFAOYSA-N
MW404.90 g/mol
LogP5.26
Rot. Bonds3

About 4-(4-chlorophenyl)-2-cyclopropyl-N-phenyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide

4-(4-chlorophenyl)-2-cyclopropyl-N-phenyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide (PubChem CID 134794829) has the molecular formula C23H21ClN4O and a molecular weight of 404.90 g/mol. Its IUPAC name is 4-(4-chlorophenyl)-2-cyclopropyl-N-phenyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide.

Molecular Properties

Compound Name4-(4-chlorophenyl)-2-cyclopropyl-N-phenyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide
PubChem CID134794829
Molecular FormulaC23H21ClN4O
Molecular Weight404.90 g/mol
Exact Mass404.14
IUPAC Name4-(4-chlorophenyl)-2-cyclopropyl-N-phenyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide
SMILESO=C(Nc1ccccc1)N1CCc2nc(C3CC3)nc(-c3ccc(Cl)cc3)c2C1
InChIInChI=1S/C23H21ClN4O/c24-17-10-8-15(9-11-17)21-19-14-28(23(29)25-18-4-2-1-3-5-18)13-12-20(19)26-22(27-21)16-6-7-16/h1-5,8-11,16H,6-7,12-14H2,(H,25,29)
InChIKeyHICFLDXKSKOZLM-UHFFFAOYSA-N
XLogP5.26
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500404.90
LogP ≤ 55.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 4-(4-chlorophenyl)-2-cyclopropyl-N-phenyl-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

Related Compounds

(2-chlorophenyl)-[4-(4-chlorophenyl)-2-cyclopropyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]methanone
CID 134792004
4-(4-methoxyphenyl)-2-methyl-N-phenyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide
CID 134794013
[2-(4-chlorophenyl)-4-phenyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-cyclopropylmethanone
CID 134791712
[2-(4-chlorophenyl)-4-phenyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-cyclopentylmethanone
CID 134792513
CID 134795097
CID 134795097
N-(4-chlorophenyl)-3-phenyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide
CID 121442894
[2-cyclopropyl-4-(4-methoxyphenyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-(2-methoxyphenyl)methanone
CID 134788830
(2-chlorophenyl)-[2-(4-chlorophenyl)-4-phenyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]methanone
CID 134792569
[2-(4-chlorophenyl)-4-phenyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-(4-methylphenyl)methanone
CID 134794191
N-(4-chlorophenyl)-2-methyl-4-(4-methylpiperidin-1-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide
CID 3514674
N,3-diphenyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide
CID 121435107
N-(3-chlorophenyl)-4-(4-methylpiperazin-1-yl)-2-phenyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide
CID 42787895

Frequently Asked Questions

What is the IUPAC name of 4-(4-chlorophenyl)-2-cyclopropyl-N-phenyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide?
The IUPAC name of 4-(4-chlorophenyl)-2-cyclopropyl-N-phenyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide (CID 134794829) is 4-(4-chlorophenyl)-2-cyclopropyl-N-phenyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide.
What is the SMILES notation for 4-(4-chlorophenyl)-2-cyclopropyl-N-phenyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide?
The canonical SMILES for 4-(4-chlorophenyl)-2-cyclopropyl-N-phenyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide is O=C(Nc1ccccc1)N1CCc2nc(C3CC3)nc(-c3ccc(Cl)cc3)c2C1.
What is the InChIKey of 4-(4-chlorophenyl)-2-cyclopropyl-N-phenyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide?
The InChIKey is HICFLDXKSKOZLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21ClN4O/c24-17-10-8-15(9-11-17)21-19-14-28(23(29)25-18-4-2-1-3-5-18)13-12-20(19)26-22(27-21)16-6-7-16/h1-5,8-11,16H,6-7,12-14H2,(H,25,29).
What are the key properties of 4-(4-chlorophenyl)-2-cyclopropyl-N-phenyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide?
4-(4-chlorophenyl)-2-cyclopropyl-N-phenyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide has a molecular weight of 404.90 g/mol, XLogP of 5.26, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-chlorophenyl)-2-cyclopropyl-N-phenyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide is sourced from PubChem (CID 134794829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).