2-fluoro-N-[7-fluoro-6-(2-fluoro-6-methylphenyl)imidazo[1,2-a]pyridin-2-yl]cyclopropane-1-carboxamide

C18H14F3N3O — CID 154686126

IUPAC2-fluoro-N-[7-fluoro-6-(2-fluoro-6-methylphenyl)imidazo[1,2-a]pyridin-2-yl]cyclopropane-1-carboxamide
SMILESCc1cccc(F)c1-c1cn2cc(NC(=O)C3CC3F)nc2cc1F
InChIInChI=1S/C18H14F3N3O/c1-9-3-2-4-12(19)17(9)11-7-24-8-15(22-16(24)6-14(11)21)23-18(25)10-5-13(10)20/h2-4,6-8,10,13H,5H2,1H3,(H,23,25)
InChIKeyRBVQEYCFRKWTIQ-UHFFFAOYSA-N
MW345.32 g/mol
LogP3.88
Rot. Bonds3

About 2-fluoro-N-[7-fluoro-6-(2-fluoro-6-methylphenyl)imidazo[1,2-a]pyridin-2-yl]cyclopropane-1-carboxamide

2-fluoro-N-[7-fluoro-6-(2-fluoro-6-methylphenyl)imidazo[1,2-a]pyridin-2-yl]cyclopropane-1-carboxamide (PubChem CID 154686126) has the molecular formula C18H14F3N3O and a molecular weight of 345.32 g/mol. Its IUPAC name is 2-fluoro-N-[7-fluoro-6-(2-fluoro-6-methylphenyl)imidazo[1,2-a]pyridin-2-yl]cyclopropane-1-carboxamide.

Molecular Properties

Compound Name2-fluoro-N-[7-fluoro-6-(2-fluoro-6-methylphenyl)imidazo[1,2-a]pyridin-2-yl]cyclopropane-1-carboxamide
PubChem CID154686126
Molecular FormulaC18H14F3N3O
Molecular Weight345.32 g/mol
Exact Mass345.11
IUPAC Name2-fluoro-N-[7-fluoro-6-(2-fluoro-6-methylphenyl)imidazo[1,2-a]pyridin-2-yl]cyclopropane-1-carboxamide
SMILESCc1cccc(F)c1-c1cn2cc(NC(=O)C3CC3F)nc2cc1F
InChIInChI=1S/C18H14F3N3O/c1-9-3-2-4-12(19)17(9)11-7-24-8-15(22-16(24)6-14(11)21)23-18(25)10-5-13(10)20/h2-4,6-8,10,13H,5H2,1H3,(H,23,25)
InChIKeyRBVQEYCFRKWTIQ-UHFFFAOYSA-N
XLogP3.88
TPSA46.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.32
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N-[7-fluoro-6-(2-fluoro-6-methylphenyl)imidazo[1,2-a]pyridin-2-yl]cyclopropane-1-carboxamide?
The IUPAC name of 2-fluoro-N-[7-fluoro-6-(2-fluoro-6-methylphenyl)imidazo[1,2-a]pyridin-2-yl]cyclopropane-1-carboxamide (CID 154686126) is 2-fluoro-N-[7-fluoro-6-(2-fluoro-6-methylphenyl)imidazo[1,2-a]pyridin-2-yl]cyclopropane-1-carboxamide.
What is the SMILES notation for 2-fluoro-N-[7-fluoro-6-(2-fluoro-6-methylphenyl)imidazo[1,2-a]pyridin-2-yl]cyclopropane-1-carboxamide?
The canonical SMILES for 2-fluoro-N-[7-fluoro-6-(2-fluoro-6-methylphenyl)imidazo[1,2-a]pyridin-2-yl]cyclopropane-1-carboxamide is Cc1cccc(F)c1-c1cn2cc(NC(=O)C3CC3F)nc2cc1F.
What is the InChIKey of 2-fluoro-N-[7-fluoro-6-(2-fluoro-6-methylphenyl)imidazo[1,2-a]pyridin-2-yl]cyclopropane-1-carboxamide?
The InChIKey is RBVQEYCFRKWTIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14F3N3O/c1-9-3-2-4-12(19)17(9)11-7-24-8-15(22-16(24)6-14(11)21)23-18(25)10-5-13(10)20/h2-4,6-8,10,13H,5H2,1H3,(H,23,25).
What are the key properties of 2-fluoro-N-[7-fluoro-6-(2-fluoro-6-methylphenyl)imidazo[1,2-a]pyridin-2-yl]cyclopropane-1-carboxamide?
2-fluoro-N-[7-fluoro-6-(2-fluoro-6-methylphenyl)imidazo[1,2-a]pyridin-2-yl]cyclopropane-1-carboxamide has a molecular weight of 345.32 g/mol, XLogP of 3.88, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N-[7-fluoro-6-(2-fluoro-6-methylphenyl)imidazo[1,2-a]pyridin-2-yl]cyclopropane-1-carboxamide is sourced from PubChem (CID 154686126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).