4-amino-1-(2-chloro-3-fluorophenyl)-7-cyclopropylpyrido[2,3-d]pyrimidin-2-one

C16H12ClFN4O — CID 162523896

IUPAC4-amino-1-(2-chloro-3-fluorophenyl)-7-cyclopropylpyrido[2,3-d]pyrimidin-2-one
SMILESNc1nc(=O)n(-c2cccc(F)c2Cl)c2nc(C3CC3)ccc12
InChIInChI=1S/C16H12ClFN4O/c17-13-10(18)2-1-3-12(13)22-15-9(14(19)21-16(22)23)6-7-11(20-15)8-4-5-8/h1-3,6-8H,4-5H2,(H2,19,21,23)
InChIKeyNKXRCZJZGDPJKX-UHFFFAOYSA-N
MW330.75 g/mol
LogP3.03
Rot. Bonds2

About 4-amino-1-(2-chloro-3-fluorophenyl)-7-cyclopropylpyrido[2,3-d]pyrimidin-2-one

4-amino-1-(2-chloro-3-fluorophenyl)-7-cyclopropylpyrido[2,3-d]pyrimidin-2-one (PubChem CID 162523896) has the molecular formula C16H12ClFN4O and a molecular weight of 330.75 g/mol. Its IUPAC name is 4-amino-1-(2-chloro-3-fluorophenyl)-7-cyclopropylpyrido[2,3-d]pyrimidin-2-one.

Molecular Properties

Compound Name4-amino-1-(2-chloro-3-fluorophenyl)-7-cyclopropylpyrido[2,3-d]pyrimidin-2-one
PubChem CID162523896
Molecular FormulaC16H12ClFN4O
Molecular Weight330.75 g/mol
Exact Mass330.07
IUPAC Name4-amino-1-(2-chloro-3-fluorophenyl)-7-cyclopropylpyrido[2,3-d]pyrimidin-2-one
SMILESNc1nc(=O)n(-c2cccc(F)c2Cl)c2nc(C3CC3)ccc12
InChIInChI=1S/C16H12ClFN4O/c17-13-10(18)2-1-3-12(13)22-15-9(14(19)21-16(22)23)6-7-11(20-15)8-4-5-8/h1-3,6-8H,4-5H2,(H2,19,21,23)
InChIKeyNKXRCZJZGDPJKX-UHFFFAOYSA-N
XLogP3.03
TPSA73.80 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.75
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 4-amino-1-(2-chloro-3-fluorophenyl)-7-cyclopropylpyrido[2,3-d]pyrimidin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-amino-1-(2-chloro-3-fluorophenyl)-7-cyclopropylpyrido[2,3-d]pyrimidin-2-one?
The IUPAC name of 4-amino-1-(2-chloro-3-fluorophenyl)-7-cyclopropylpyrido[2,3-d]pyrimidin-2-one (CID 162523896) is 4-amino-1-(2-chloro-3-fluorophenyl)-7-cyclopropylpyrido[2,3-d]pyrimidin-2-one.
What is the SMILES notation for 4-amino-1-(2-chloro-3-fluorophenyl)-7-cyclopropylpyrido[2,3-d]pyrimidin-2-one?
The canonical SMILES for 4-amino-1-(2-chloro-3-fluorophenyl)-7-cyclopropylpyrido[2,3-d]pyrimidin-2-one is Nc1nc(=O)n(-c2cccc(F)c2Cl)c2nc(C3CC3)ccc12.
What is the InChIKey of 4-amino-1-(2-chloro-3-fluorophenyl)-7-cyclopropylpyrido[2,3-d]pyrimidin-2-one?
The InChIKey is NKXRCZJZGDPJKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12ClFN4O/c17-13-10(18)2-1-3-12(13)22-15-9(14(19)21-16(22)23)6-7-11(20-15)8-4-5-8/h1-3,6-8H,4-5H2,(H2,19,21,23).
What are the key properties of 4-amino-1-(2-chloro-3-fluorophenyl)-7-cyclopropylpyrido[2,3-d]pyrimidin-2-one?
4-amino-1-(2-chloro-3-fluorophenyl)-7-cyclopropylpyrido[2,3-d]pyrimidin-2-one has a molecular weight of 330.75 g/mol, XLogP of 3.03, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-1-(2-chloro-3-fluorophenyl)-7-cyclopropylpyrido[2,3-d]pyrimidin-2-one is sourced from PubChem (CID 162523896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).