4-amino-7-chloro-6-fluoro-1-(2-propan-2-ylphenyl)pyrido[2,3-d]pyrimidin-2-one

C16H14ClFN4O — CID 167080503

IUPAC4-amino-7-chloro-6-fluoro-1-(2-propan-2-ylphenyl)pyrido[2,3-d]pyrimidin-2-one
SMILESCC(C)c1ccccc1-n1c(=O)nc(N)c2cc(F)c(Cl)nc21
InChIInChI=1S/C16H14ClFN4O/c1-8(2)9-5-3-4-6-12(9)22-15-10(14(19)21-16(22)23)7-11(18)13(17)20-15/h3-8H,1-2H3,(H2,19,21,23)
InChIKeyHVVHKZONZHOYFY-UHFFFAOYSA-N
MW332.77 g/mol
LogP3.28
Rot. Bonds2

About 4-amino-7-chloro-6-fluoro-1-(2-propan-2-ylphenyl)pyrido[2,3-d]pyrimidin-2-one

4-amino-7-chloro-6-fluoro-1-(2-propan-2-ylphenyl)pyrido[2,3-d]pyrimidin-2-one (PubChem CID 167080503) has the molecular formula C16H14ClFN4O and a molecular weight of 332.77 g/mol. Its IUPAC name is 4-amino-7-chloro-6-fluoro-1-(2-propan-2-ylphenyl)pyrido[2,3-d]pyrimidin-2-one.

Molecular Properties

Compound Name4-amino-7-chloro-6-fluoro-1-(2-propan-2-ylphenyl)pyrido[2,3-d]pyrimidin-2-one
PubChem CID167080503
Molecular FormulaC16H14ClFN4O
Molecular Weight332.77 g/mol
Exact Mass332.08
IUPAC Name4-amino-7-chloro-6-fluoro-1-(2-propan-2-ylphenyl)pyrido[2,3-d]pyrimidin-2-one
SMILESCC(C)c1ccccc1-n1c(=O)nc(N)c2cc(F)c(Cl)nc21
InChIInChI=1S/C16H14ClFN4O/c1-8(2)9-5-3-4-6-12(9)22-15-10(14(19)21-16(22)23)7-11(18)13(17)20-15/h3-8H,1-2H3,(H2,19,21,23)
InChIKeyHVVHKZONZHOYFY-UHFFFAOYSA-N
XLogP3.28
TPSA73.80 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.77
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

4,6,7-trichloro-1-(2-propan-2-ylphenyl)pyrido[2,3-d]pyrimidin-2-one
CID 146235349
6-chloro-1-(2-propan-2-ylphenyl)quinazolin-2-one
CID 172853674
7-chloro-6-fluoro-4-[(2S)-2-methyl-4-prop-2-enoylpiperazin-1-yl]-1-(2-propan-2-ylphenyl)pyrido[2,3-d]pyrimidin-2-one;(2-chloro-6-hydroxyphenyl)boronic acid;7-(2-chloro-6-hydroxyphenyl)-6-fluoro-4-[(2S)-2-methyl-4-prop-2-enoylpiperazin-1-yl]-1-(2-propan-2-ylphenyl)pyrido[2,3-d]pyrimidin-2-one
CID 157484104
4-amino-1-(2-chloro-3-fluorophenyl)-7-cyclopropylpyrido[2,3-d]pyrimidin-2-one
CID 162523896
6-chloro-7-(2-fluorophenyl)-1-(2-propan-2-ylphenyl)pteridine-2,4-dione
CID 135379077
6-chloro-7-(3-fluorophenoxy)-4-[(2S)-2-methyl-4-prop-2-enoylpiperazin-1-yl]-1-(2-propan-2-ylphenyl)pyrido[2,3-d]pyrimidin-2-one
CID 146254503
6-chloro-4-(2,5-dimethyl-4-prop-2-enoylpiperazin-1-yl)-7-(2-fluorophenyl)-1-(2-propan-2-ylphenyl)pyrido[2,3-d]pyrimidin-2-one
CID 167103373
6-bromo-5-fluoro-1-(2-propan-2-ylphenyl)benzimidazol-2-amine
CID 116738105
6-chloro-7-(3-fluoro-2-pyridinyl)-4-[(2S)-2-methyl-4-prop-2-enoylpiperazin-1-yl]-1-(2-propan-2-ylphenyl)pyrido[2,3-d]pyrimidin-2-one
CID 146254340
tert-butyl (4R,7R)-15-chloro-16-fluoro-4,9-dimethyl-8,11-dioxo-12-(2-propan-2-ylphenyl)-2,5,9,12,14-pentazatetracyclo[8.8.0.02,7.013,18]octadeca-1(10),13,15,17-tetraene-5-carboxylate;tert-butyl (4R,7R)-15-chloro-16-fluoro-4-methyl-8,11-dioxo-12-(2-propan-2-ylphenyl)-2,5,9,12,14-pentazatetracyclo[8.8.0.02,7.013,18]octadeca-1(10),13,15,17-tetraene-5-carboxylate
CID 167623483
6-chloro-7-(3-fluoro-5-methyl-2-pyridinyl)-4-[(2S)-2-methyl-4-prop-2-enoylpiperazin-1-yl]-1-(2-propan-2-ylphenyl)pyrido[2,3-d]pyrimidin-2-one
CID 157273731
3-bromo-7-chloro-6-fluoro-4-(methylamino)-1-(2-methylphenyl)-1,8-naphthyridin-2-one
CID 176913565

Frequently Asked Questions

What is the IUPAC name of 4-amino-7-chloro-6-fluoro-1-(2-propan-2-ylphenyl)pyrido[2,3-d]pyrimidin-2-one?
The IUPAC name of 4-amino-7-chloro-6-fluoro-1-(2-propan-2-ylphenyl)pyrido[2,3-d]pyrimidin-2-one (CID 167080503) is 4-amino-7-chloro-6-fluoro-1-(2-propan-2-ylphenyl)pyrido[2,3-d]pyrimidin-2-one.
What is the SMILES notation for 4-amino-7-chloro-6-fluoro-1-(2-propan-2-ylphenyl)pyrido[2,3-d]pyrimidin-2-one?
The canonical SMILES for 4-amino-7-chloro-6-fluoro-1-(2-propan-2-ylphenyl)pyrido[2,3-d]pyrimidin-2-one is CC(C)c1ccccc1-n1c(=O)nc(N)c2cc(F)c(Cl)nc21.
What is the InChIKey of 4-amino-7-chloro-6-fluoro-1-(2-propan-2-ylphenyl)pyrido[2,3-d]pyrimidin-2-one?
The InChIKey is HVVHKZONZHOYFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14ClFN4O/c1-8(2)9-5-3-4-6-12(9)22-15-10(14(19)21-16(22)23)7-11(18)13(17)20-15/h3-8H,1-2H3,(H2,19,21,23).
What are the key properties of 4-amino-7-chloro-6-fluoro-1-(2-propan-2-ylphenyl)pyrido[2,3-d]pyrimidin-2-one?
4-amino-7-chloro-6-fluoro-1-(2-propan-2-ylphenyl)pyrido[2,3-d]pyrimidin-2-one has a molecular weight of 332.77 g/mol, XLogP of 3.28, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-7-chloro-6-fluoro-1-(2-propan-2-ylphenyl)pyrido[2,3-d]pyrimidin-2-one is sourced from PubChem (CID 167080503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).