2-amino-5-(3-chlorophenyl)-7-(4-chlorophenyl)-3H-pyrido[2,3-d]pyrimidin-4-one

C19H12Cl2N4O — CID 135949024

IUPAC2-amino-5-(3-chlorophenyl)-7-(4-chlorophenyl)-3H-pyrido[2,3-d]pyrimidin-4-one
SMILESNc1nc2nc(-c3ccc(Cl)cc3)cc(-c3cccc(Cl)c3)c2c(=O)[nH]1
InChIInChI=1S/C19H12Cl2N4O/c20-12-6-4-10(5-7-12)15-9-14(11-2-1-3-13(21)8-11)16-17(23-15)24-19(22)25-18(16)26/h1-9H,(H3,22,23,24,25,26)
InChIKeyMQZNACRJWYLQED-UHFFFAOYSA-N
MW383.24 g/mol
LogP4.54
Rot. Bonds2

About 2-amino-5-(3-chlorophenyl)-7-(4-chlorophenyl)-3H-pyrido[2,3-d]pyrimidin-4-one

2-amino-5-(3-chlorophenyl)-7-(4-chlorophenyl)-3H-pyrido[2,3-d]pyrimidin-4-one (PubChem CID 135949024) has the molecular formula C19H12Cl2N4O and a molecular weight of 383.24 g/mol. Its IUPAC name is 2-amino-5-(3-chlorophenyl)-7-(4-chlorophenyl)-3H-pyrido[2,3-d]pyrimidin-4-one.

Molecular Properties

Compound Name2-amino-5-(3-chlorophenyl)-7-(4-chlorophenyl)-3H-pyrido[2,3-d]pyrimidin-4-one
PubChem CID135949024
Molecular FormulaC19H12Cl2N4O
Molecular Weight383.24 g/mol
Exact Mass382.04
IUPAC Name2-amino-5-(3-chlorophenyl)-7-(4-chlorophenyl)-3H-pyrido[2,3-d]pyrimidin-4-one
SMILESNc1nc2nc(-c3ccc(Cl)cc3)cc(-c3cccc(Cl)c3)c2c(=O)[nH]1
InChIInChI=1S/C19H12Cl2N4O/c20-12-6-4-10(5-7-12)15-9-14(11-2-1-3-13(21)8-11)16-17(23-15)24-19(22)25-18(16)26/h1-9H,(H3,22,23,24,25,26)
InChIKeyMQZNACRJWYLQED-UHFFFAOYSA-N
XLogP4.54
TPSA84.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.24
LogP ≤ 54.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

7-(4-chlorophenyl)-5-(4-fluorophenyl)-2-hydrazinyl-3H-pyrido[2,3-d]pyrimidin-4-one
CID 155806988
5,7-bis(4-chlorophenyl)-2-sulfanylidene-1H-pyrido[2,3-d]pyrimidin-4-one
CID 6199734
6-(3-chlorophenyl)-4-phenyl-2H-pyrazolo[3,4-b]pyridin-3-amine
CID 46206940
4-amino-5-(4-chlorophenyl)-7-(4-fluorophenyl)-3H-pyrido[2,3-d]pyrimidine-2-thione
CID 10068509
ethyl 2-amino-5-(3-methoxyphenyl)-4-oxo-3H-pyrido[2,3-d]pyrimidine-7-carboxylate
CID 137290035
5-(4-chlorophenyl)-2-(3-methylbutylsulfanyl)-7-(4-methylphenyl)-3H-pyrido[2,3-d]pyrimidin-4-one
CID 135572405
5-(3-chlorophenyl)-3-propan-2-yl-1H-pyridazin-6-one
CID 132587737
3-amino-6-(3-chlorophenyl)-1H-pyridin-2-one
CID 105476832
3-(3-chlorophenyl)-1H-quinolin-2-one
CID 152763617
6-(4-chlorophenyl)-4-phenyl-1H-pyrimidin-2-one
CID 624641
2-amino-4-(3,4-dichlorophenyl)-5-iodo-1H-pyrimidin-6-one
CID 135480649
4-(3-chlorophenyl)-2-cyclopropyl-1H-pyrimidin-6-one
CID 136910495

Frequently Asked Questions

What is the IUPAC name of 2-amino-5-(3-chlorophenyl)-7-(4-chlorophenyl)-3H-pyrido[2,3-d]pyrimidin-4-one?
The IUPAC name of 2-amino-5-(3-chlorophenyl)-7-(4-chlorophenyl)-3H-pyrido[2,3-d]pyrimidin-4-one (CID 135949024) is 2-amino-5-(3-chlorophenyl)-7-(4-chlorophenyl)-3H-pyrido[2,3-d]pyrimidin-4-one.
What is the SMILES notation for 2-amino-5-(3-chlorophenyl)-7-(4-chlorophenyl)-3H-pyrido[2,3-d]pyrimidin-4-one?
The canonical SMILES for 2-amino-5-(3-chlorophenyl)-7-(4-chlorophenyl)-3H-pyrido[2,3-d]pyrimidin-4-one is Nc1nc2nc(-c3ccc(Cl)cc3)cc(-c3cccc(Cl)c3)c2c(=O)[nH]1.
What is the InChIKey of 2-amino-5-(3-chlorophenyl)-7-(4-chlorophenyl)-3H-pyrido[2,3-d]pyrimidin-4-one?
The InChIKey is MQZNACRJWYLQED-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H12Cl2N4O/c20-12-6-4-10(5-7-12)15-9-14(11-2-1-3-13(21)8-11)16-17(23-15)24-19(22)25-18(16)26/h1-9H,(H3,22,23,24,25,26).
What are the key properties of 2-amino-5-(3-chlorophenyl)-7-(4-chlorophenyl)-3H-pyrido[2,3-d]pyrimidin-4-one?
2-amino-5-(3-chlorophenyl)-7-(4-chlorophenyl)-3H-pyrido[2,3-d]pyrimidin-4-one has a molecular weight of 383.24 g/mol, XLogP of 4.54, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-(3-chlorophenyl)-7-(4-chlorophenyl)-3H-pyrido[2,3-d]pyrimidin-4-one is sourced from PubChem (CID 135949024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).