1-[4-(4-chlorophenyl)-2-phenyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-2-pyridin-2-ylethanone

C26H21ClN4O — CID 134792580

IUPAC1-[4-(4-chlorophenyl)-2-phenyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-2-pyridin-2-ylethanone
SMILESO=C(Cc1ccccn1)N1CCc2nc(-c3ccccc3)nc(-c3ccc(Cl)cc3)c2C1
InChIInChI=1S/C26H21ClN4O/c27-20-11-9-18(10-12-20)25-22-17-31(24(32)16-21-8-4-5-14-28-21)15-13-23(22)29-26(30-25)19-6-2-1-3-7-19/h1-12,14H,13,15-17H2
InChIKeyJHWKYBSBIAFYGS-UHFFFAOYSA-N
MW440.93 g/mol
LogP4.99
Rot. Bonds4

About 1-[4-(4-chlorophenyl)-2-phenyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-2-pyridin-2-ylethanone

1-[4-(4-chlorophenyl)-2-phenyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-2-pyridin-2-ylethanone (PubChem CID 134792580) has the molecular formula C26H21ClN4O and a molecular weight of 440.93 g/mol. Its IUPAC name is 1-[4-(4-chlorophenyl)-2-phenyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-2-pyridin-2-ylethanone.

Molecular Properties

Compound Name1-[4-(4-chlorophenyl)-2-phenyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-2-pyridin-2-ylethanone
PubChem CID134792580
Molecular FormulaC26H21ClN4O
Molecular Weight440.93 g/mol
Exact Mass440.14
IUPAC Name1-[4-(4-chlorophenyl)-2-phenyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-2-pyridin-2-ylethanone
SMILESO=C(Cc1ccccn1)N1CCc2nc(-c3ccccc3)nc(-c3ccc(Cl)cc3)c2C1
InChIInChI=1S/C26H21ClN4O/c27-20-11-9-18(10-12-20)25-22-17-31(24(32)16-21-8-4-5-14-28-21)15-13-23(22)29-26(30-25)19-6-2-1-3-7-19/h1-12,14H,13,15-17H2
InChIKeyJHWKYBSBIAFYGS-UHFFFAOYSA-N
XLogP4.99
TPSA58.98 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.93
LogP ≤ 54.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-aminopyrido[2,3-d]pyrimidin-7(8H)-one 36
CID 5327883
1-(4-{5-[6-Amino-5-(4-chlorophenyl)pyrimidin-4-ylethynyl]pyridin-2-yl}piperazin-1-yl)ethanone
CID 44423528
(R)-2-amino-3-(4-chlorophenyl)-1-(4-(quinazolin-4-yl)piperazin-1-yl)propan-1-one
CID 11246455
[4-(4-Chlorophenyl)phenyl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
CID 15951123
3-(2-aminoquinazolin-6-yl)-1-(4-chlorophenyl)-4-methylpyridin-2(1H)-one
CID 24879184
(R)-2-amino-3-(4-chlorophenyl)-1-(4-(6-phenylquinazolin-4-yl)piperazin-1-yl)propan-1-one
CID 52944431
(R)-2-amino-3-(3-chlorophenyl)-1-(4-(quinazolin-4-yl)piperazin-1-yl)propan-1-one
CID 52946401
4-(2,6-dichlorophenyl)-N-(3-ethylphenyl)-2-(pyridin-3-yl)-7,8-dihydropyrido[4,3-d]pyrimidine-6(5H)-carboxamide
CID 54580587
4-(2-chloro-6-methylphenyl)-N-(3-ethylphenyl)-2-(pyridin-3-yl)-7,8-dihydropyrido[4,3-d]pyrimidine-6(5H)-carboxamide
CID 54582584
N-(3-chloro-5-ethylphenyl)-2-(pyridin-3-yl)-4-o-tolyl-7,8-dihydropyrido[4,3-d]pyrimidine-6(5H)-carboxamide
CID 54585443
4-(2-chlorophenyl)-N-(3-ethylphenyl)-2-(pyridin-3-yl)-7,8-dihydropyrido[4,3-d]pyrimidine-6(5H)-carboxamide
CID 54586410
N-[(1R)-2-[(5-chloro-6-methyl-2-pyridin-2-ylpyrimidin-4-yl)amino]-1-phenylethyl]-3-piperazin-1-ylpropanamide
CID 68347007

Frequently Asked Questions

What is the IUPAC name of 1-[4-(4-chlorophenyl)-2-phenyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-2-pyridin-2-ylethanone?
The IUPAC name of 1-[4-(4-chlorophenyl)-2-phenyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-2-pyridin-2-ylethanone (CID 134792580) is 1-[4-(4-chlorophenyl)-2-phenyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-2-pyridin-2-ylethanone.
What is the SMILES notation for 1-[4-(4-chlorophenyl)-2-phenyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-2-pyridin-2-ylethanone?
The canonical SMILES for 1-[4-(4-chlorophenyl)-2-phenyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-2-pyridin-2-ylethanone is O=C(Cc1ccccn1)N1CCc2nc(-c3ccccc3)nc(-c3ccc(Cl)cc3)c2C1.
What is the InChIKey of 1-[4-(4-chlorophenyl)-2-phenyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-2-pyridin-2-ylethanone?
The InChIKey is JHWKYBSBIAFYGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H21ClN4O/c27-20-11-9-18(10-12-20)25-22-17-31(24(32)16-21-8-4-5-14-28-21)15-13-23(22)29-26(30-25)19-6-2-1-3-7-19/h1-12,14H,13,15-17H2.
What are the key properties of 1-[4-(4-chlorophenyl)-2-phenyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-2-pyridin-2-ylethanone?
1-[4-(4-chlorophenyl)-2-phenyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-2-pyridin-2-ylethanone has a molecular weight of 440.93 g/mol, XLogP of 4.99, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(4-chlorophenyl)-2-phenyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-2-pyridin-2-ylethanone is sourced from PubChem (CID 134792580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).