2-chloro-N-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)pyrimidine-5-carboxamide

C13H9ClFN5O — CID 166507578

IUPAC2-chloro-N-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)pyrimidine-5-carboxamide
SMILESCc1cn2cc(NC(=O)c3cnc(Cl)nc3)cc(F)c2n1
InChIInChI=1S/C13H9ClFN5O/c1-7-5-20-6-9(2-10(15)11(20)18-7)19-12(21)8-3-16-13(14)17-4-8/h2-6H,1H3,(H,19,21)
InChIKeyJIDBNILNJKAESC-UHFFFAOYSA-N
MW305.70 g/mol
LogP2.48
Rot. Bonds2

About 2-chloro-N-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)pyrimidine-5-carboxamide

2-chloro-N-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)pyrimidine-5-carboxamide (PubChem CID 166507578) has the molecular formula C13H9ClFN5O and a molecular weight of 305.70 g/mol. Its IUPAC name is 2-chloro-N-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)pyrimidine-5-carboxamide.

Molecular Properties

Compound Name2-chloro-N-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)pyrimidine-5-carboxamide
PubChem CID166507578
Molecular FormulaC13H9ClFN5O
Molecular Weight305.70 g/mol
Exact Mass305.05
IUPAC Name2-chloro-N-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)pyrimidine-5-carboxamide
SMILESCc1cn2cc(NC(=O)c3cnc(Cl)nc3)cc(F)c2n1
InChIInChI=1S/C13H9ClFN5O/c1-7-5-20-6-9(2-10(15)11(20)18-7)19-12(21)8-3-16-13(14)17-4-8/h2-6H,1H3,(H,19,21)
InChIKeyJIDBNILNJKAESC-UHFFFAOYSA-N
XLogP2.48
TPSA72.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.70
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)pyrimidine-5-carboxamide?
The IUPAC name of 2-chloro-N-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)pyrimidine-5-carboxamide (CID 166507578) is 2-chloro-N-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)pyrimidine-5-carboxamide.
What is the SMILES notation for 2-chloro-N-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)pyrimidine-5-carboxamide?
The canonical SMILES for 2-chloro-N-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)pyrimidine-5-carboxamide is Cc1cn2cc(NC(=O)c3cnc(Cl)nc3)cc(F)c2n1.
What is the InChIKey of 2-chloro-N-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)pyrimidine-5-carboxamide?
The InChIKey is JIDBNILNJKAESC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9ClFN5O/c1-7-5-20-6-9(2-10(15)11(20)18-7)19-12(21)8-3-16-13(14)17-4-8/h2-6H,1H3,(H,19,21).
What are the key properties of 2-chloro-N-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)pyrimidine-5-carboxamide?
2-chloro-N-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)pyrimidine-5-carboxamide has a molecular weight of 305.70 g/mol, XLogP of 2.48, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)pyrimidine-5-carboxamide is sourced from PubChem (CID 166507578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).