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

C17H14Cl2FN3O — CID 146235042

IUPAC4,7-dichloro-6-fluoro-1-(2-methyl-6-propan-2-ylphenyl)pyrido[2,3-d]pyrimidin-2-one
SMILESCc1cccc(C(C)C)c1-n1c(=O)nc(Cl)c2cc(F)c(Cl)nc21
InChIInChI=1S/C17H14Cl2FN3O/c1-8(2)10-6-4-5-9(3)13(10)23-16-11(14(18)22-17(23)24)7-12(20)15(19)21-16/h4-8H,1-3H3
InChIKeyVYONDCFOJOACHE-UHFFFAOYSA-N
MW366.22 g/mol
LogP4.66
Rot. Bonds2

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

4,7-dichloro-6-fluoro-1-(2-methyl-6-propan-2-ylphenyl)pyrido[2,3-d]pyrimidin-2-one (PubChem CID 146235042) has the molecular formula C17H14Cl2FN3O and a molecular weight of 366.22 g/mol. Its IUPAC name is 4,7-dichloro-6-fluoro-1-(2-methyl-6-propan-2-ylphenyl)pyrido[2,3-d]pyrimidin-2-one.

Molecular Properties

Compound Name4,7-dichloro-6-fluoro-1-(2-methyl-6-propan-2-ylphenyl)pyrido[2,3-d]pyrimidin-2-one
PubChem CID146235042
Molecular FormulaC17H14Cl2FN3O
Molecular Weight366.22 g/mol
Exact Mass365.05
IUPAC Name4,7-dichloro-6-fluoro-1-(2-methyl-6-propan-2-ylphenyl)pyrido[2,3-d]pyrimidin-2-one
SMILESCc1cccc(C(C)C)c1-n1c(=O)nc(Cl)c2cc(F)c(Cl)nc21
InChIInChI=1S/C17H14Cl2FN3O/c1-8(2)10-6-4-5-9(3)13(10)23-16-11(14(18)22-17(23)24)7-12(20)15(19)21-16/h4-8H,1-3H3
InChIKeyVYONDCFOJOACHE-UHFFFAOYSA-N
XLogP4.66
TPSA47.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.22
LogP ≤ 54.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4,7-dichloro-6-fluoro-1-(2-methyl-6-propan-2-ylphenyl)pyrido[2,3-d]pyrimidin-2-one?
The IUPAC name of 4,7-dichloro-6-fluoro-1-(2-methyl-6-propan-2-ylphenyl)pyrido[2,3-d]pyrimidin-2-one (CID 146235042) is 4,7-dichloro-6-fluoro-1-(2-methyl-6-propan-2-ylphenyl)pyrido[2,3-d]pyrimidin-2-one.
What is the SMILES notation for 4,7-dichloro-6-fluoro-1-(2-methyl-6-propan-2-ylphenyl)pyrido[2,3-d]pyrimidin-2-one?
The canonical SMILES for 4,7-dichloro-6-fluoro-1-(2-methyl-6-propan-2-ylphenyl)pyrido[2,3-d]pyrimidin-2-one is Cc1cccc(C(C)C)c1-n1c(=O)nc(Cl)c2cc(F)c(Cl)nc21.
What is the InChIKey of 4,7-dichloro-6-fluoro-1-(2-methyl-6-propan-2-ylphenyl)pyrido[2,3-d]pyrimidin-2-one?
The InChIKey is VYONDCFOJOACHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14Cl2FN3O/c1-8(2)10-6-4-5-9(3)13(10)23-16-11(14(18)22-17(23)24)7-12(20)15(19)21-16/h4-8H,1-3H3.
What are the key properties of 4,7-dichloro-6-fluoro-1-(2-methyl-6-propan-2-ylphenyl)pyrido[2,3-d]pyrimidin-2-one?
4,7-dichloro-6-fluoro-1-(2-methyl-6-propan-2-ylphenyl)pyrido[2,3-d]pyrimidin-2-one has a molecular weight of 366.22 g/mol, XLogP of 4.66, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4,7-dichloro-6-fluoro-1-(2-methyl-6-propan-2-ylphenyl)pyrido[2,3-d]pyrimidin-2-one is sourced from PubChem (CID 146235042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).