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

C26H19Cl2N3O — CID 134792569

IUPAC(2-chlorophenyl)-[2-(4-chlorophenyl)-4-phenyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]methanone
SMILESO=C(c1ccccc1Cl)N1CCc2nc(-c3ccc(Cl)cc3)nc(-c3ccccc3)c2C1
InChIInChI=1S/C26H19Cl2N3O/c27-19-12-10-18(11-13-19)25-29-23-14-15-31(26(32)20-8-4-5-9-22(20)28)16-21(23)24(30-25)17-6-2-1-3-7-17/h1-13H,14-16H2
InChIKeyPCESPXNUOGJAMQ-UHFFFAOYSA-N
MW460.36 g/mol
LogP6.32
Rot. Bonds3

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

(2-chlorophenyl)-[2-(4-chlorophenyl)-4-phenyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]methanone (PubChem CID 134792569) has the molecular formula C26H19Cl2N3O and a molecular weight of 460.36 g/mol. Its IUPAC name is (2-chlorophenyl)-[2-(4-chlorophenyl)-4-phenyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]methanone.

Molecular Properties

Compound Name(2-chlorophenyl)-[2-(4-chlorophenyl)-4-phenyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]methanone
PubChem CID134792569
Molecular FormulaC26H19Cl2N3O
Molecular Weight460.36 g/mol
Exact Mass459.09
IUPAC Name(2-chlorophenyl)-[2-(4-chlorophenyl)-4-phenyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]methanone
SMILESO=C(c1ccccc1Cl)N1CCc2nc(-c3ccc(Cl)cc3)nc(-c3ccccc3)c2C1
InChIInChI=1S/C26H19Cl2N3O/c27-19-12-10-18(11-13-19)25-29-23-14-15-31(26(32)20-8-4-5-9-22(20)28)16-21(23)24(30-25)17-6-2-1-3-7-17/h1-13H,14-16H2
InChIKeyPCESPXNUOGJAMQ-UHFFFAOYSA-N
XLogP6.32
TPSA46.09 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500460.36
LogP ≤ 56.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

[2-(4-chlorophenyl)-4-phenyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-(4-methylphenyl)methanone
CID 134794191
[2-(4-chlorophenyl)-4-phenyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-cyclopropylmethanone
CID 134791712
(2-chlorophenyl)-[4-(4-chlorophenyl)-2-cyclopropyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]methanone
CID 134792004
[2-(4-chlorophenyl)-4-phenyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-cyclopentylmethanone
CID 134792513
(2-chlorophenyl)-[4-(4-hydroxyphenyl)-2-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]methanone
CID 137299150
(2-chlorophenyl)-[3-(4-chlorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]methanone
CID 108750151
(4-fluorophenyl)-[2-(4-methoxyphenyl)-4-phenyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]methanone
CID 134792089
(2-chlorophenyl)-(2-piperidin-1-yl-4-pyrrolidin-1-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)methanone
CID 42855739
[4-(4-chlorophenyl)-2-propan-2-yl-5,6,8,9-tetrahydropyrimido[4,5-d]azepin-7-yl]-(2-fluorophenyl)methanone
CID 134788812
1-(2-amino-4-phenyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)ethanone;hydrate
CID 19883212
4-(4-chlorophenyl)-2-cyclopropyl-N-phenyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide
CID 134794829
(2-chloro-6-fluorophenyl)-(2-phenyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)methanone
CID 53147086

Frequently Asked Questions

What is the IUPAC name of (2-chlorophenyl)-[2-(4-chlorophenyl)-4-phenyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]methanone?
The IUPAC name of (2-chlorophenyl)-[2-(4-chlorophenyl)-4-phenyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]methanone (CID 134792569) is (2-chlorophenyl)-[2-(4-chlorophenyl)-4-phenyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]methanone.
What is the SMILES notation for (2-chlorophenyl)-[2-(4-chlorophenyl)-4-phenyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]methanone?
The canonical SMILES for (2-chlorophenyl)-[2-(4-chlorophenyl)-4-phenyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]methanone is O=C(c1ccccc1Cl)N1CCc2nc(-c3ccc(Cl)cc3)nc(-c3ccccc3)c2C1.
What is the InChIKey of (2-chlorophenyl)-[2-(4-chlorophenyl)-4-phenyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]methanone?
The InChIKey is PCESPXNUOGJAMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H19Cl2N3O/c27-19-12-10-18(11-13-19)25-29-23-14-15-31(26(32)20-8-4-5-9-22(20)28)16-21(23)24(30-25)17-6-2-1-3-7-17/h1-13H,14-16H2.
What are the key properties of (2-chlorophenyl)-[2-(4-chlorophenyl)-4-phenyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]methanone?
(2-chlorophenyl)-[2-(4-chlorophenyl)-4-phenyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]methanone has a molecular weight of 460.36 g/mol, XLogP of 6.32, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-chlorophenyl)-[2-(4-chlorophenyl)-4-phenyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]methanone is sourced from PubChem (CID 134792569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).