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

C20H15ClFN3O — CID 53147104

IUPAC(2-chloro-5-fluorophenyl)-(2-phenyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)methanone
SMILESO=C(c1cc(F)ccc1Cl)N1CCc2nc(-c3ccccc3)ncc2C1
InChIInChI=1S/C20H15ClFN3O/c21-17-7-6-15(22)10-16(17)20(26)25-9-8-18-14(12-25)11-23-19(24-18)13-4-2-1-3-5-13/h1-7,10-11H,8-9,12H2
InChIKeyHLZYVLXMOCQFIL-UHFFFAOYSA-N
MW367.81 g/mol
LogP4.13
Rot. Bonds2

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

(2-chloro-5-fluorophenyl)-(2-phenyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)methanone (PubChem CID 53147104) has the molecular formula C20H15ClFN3O and a molecular weight of 367.81 g/mol. Its IUPAC name is (2-chloro-5-fluorophenyl)-(2-phenyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)methanone.

Molecular Properties

Compound Name(2-chloro-5-fluorophenyl)-(2-phenyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)methanone
PubChem CID53147104
Molecular FormulaC20H15ClFN3O
Molecular Weight367.81 g/mol
Exact Mass367.09
IUPAC Name(2-chloro-5-fluorophenyl)-(2-phenyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)methanone
SMILESO=C(c1cc(F)ccc1Cl)N1CCc2nc(-c3ccccc3)ncc2C1
InChIInChI=1S/C20H15ClFN3O/c21-17-7-6-15(22)10-16(17)20(26)25-9-8-18-14(12-25)11-23-19(24-18)13-4-2-1-3-5-13/h1-7,10-11H,8-9,12H2
InChIKeyHLZYVLXMOCQFIL-UHFFFAOYSA-N
XLogP4.13
TPSA46.09 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.81
LogP ≤ 54.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze (2-chloro-5-fluorophenyl)-(2-phenyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)methanone with MolForge

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Related Compounds

(2-chloro-6-fluorophenyl)-(2-phenyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)methanone
CID 53147086
(2-phenyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)-pyridin-4-ylmethanone
CID 53147080
(4-fluorophenyl)-[2-(4-methoxyphenyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]methanone
CID 53146954
N-(3-chloro-4-fluorophenyl)-2-(4-fluorophenyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide
CID 53147188
(3-bromophenyl)-[2-(4-chlorophenyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]methanone
CID 53147009
N-(5-chloro-2,4-dimethoxyphenyl)-2-phenyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide
CID 53147237
4-chloro-N-[6-(2,4-difluorobenzoyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl]benzamide
CID 68678555
2-[4-[2-(4-chlorophenyl)ethyl]phenyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxylic acid
CID 175236348
N-(2-methylpropyl)-2-phenyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide
CID 53147267
(2-chloro-5-fluorophenyl)-(3-methyl-3,10-diazatricyclo[6.4.1.04,13]trideca-1,4,6,8(13)-tetraen-10-yl)methanone
CID 53140286
(4-chloro-2-methoxyphenyl)-(2-phenyl-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl)methanone
CID 56752349
N-(3-bromophenyl)-2-(4-fluorophenyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide
CID 53147195

Frequently Asked Questions

What is the IUPAC name of (2-chloro-5-fluorophenyl)-(2-phenyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)methanone?
The IUPAC name of (2-chloro-5-fluorophenyl)-(2-phenyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)methanone (CID 53147104) is (2-chloro-5-fluorophenyl)-(2-phenyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)methanone.
What is the SMILES notation for (2-chloro-5-fluorophenyl)-(2-phenyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)methanone?
The canonical SMILES for (2-chloro-5-fluorophenyl)-(2-phenyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)methanone is O=C(c1cc(F)ccc1Cl)N1CCc2nc(-c3ccccc3)ncc2C1.
What is the InChIKey of (2-chloro-5-fluorophenyl)-(2-phenyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)methanone?
The InChIKey is HLZYVLXMOCQFIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15ClFN3O/c21-17-7-6-15(22)10-16(17)20(26)25-9-8-18-14(12-25)11-23-19(24-18)13-4-2-1-3-5-13/h1-7,10-11H,8-9,12H2.
What are the key properties of (2-chloro-5-fluorophenyl)-(2-phenyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)methanone?
(2-chloro-5-fluorophenyl)-(2-phenyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)methanone has a molecular weight of 367.81 g/mol, XLogP of 4.13, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-chloro-5-fluorophenyl)-(2-phenyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)methanone is sourced from PubChem (CID 53147104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).