1-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]-3-(difluoromethyl)pyrazole-4-carboxylic acid

C16H14F2N4O2 — CID 139487398

IUPAC1-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]-3-(difluoromethyl)pyrazole-4-carboxylic acid
SMILESO=C(O)c1cn(Cc2cn3cc(C4CC4)ccc3n2)nc1C(F)F
InChIInChI=1S/C16H14F2N4O2/c17-15(18)14-12(16(23)24)8-22(20-14)7-11-6-21-5-10(9-1-2-9)3-4-13(21)19-11/h3-6,8-9,15H,1-2,7H2,(H,23,24)
InChIKeyVCXAXLXOPIYSBF-UHFFFAOYSA-N
MW332.31 g/mol
LogP3.09
Rot. Bonds5

About 1-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]-3-(difluoromethyl)pyrazole-4-carboxylic acid

1-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]-3-(difluoromethyl)pyrazole-4-carboxylic acid (PubChem CID 139487398) has the molecular formula C16H14F2N4O2 and a molecular weight of 332.31 g/mol. Its IUPAC name is 1-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]-3-(difluoromethyl)pyrazole-4-carboxylic acid.

Molecular Properties

Compound Name1-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]-3-(difluoromethyl)pyrazole-4-carboxylic acid
PubChem CID139487398
Molecular FormulaC16H14F2N4O2
Molecular Weight332.31 g/mol
Exact Mass332.11
IUPAC Name1-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]-3-(difluoromethyl)pyrazole-4-carboxylic acid
SMILESO=C(O)c1cn(Cc2cn3cc(C4CC4)ccc3n2)nc1C(F)F
InChIInChI=1S/C16H14F2N4O2/c17-15(18)14-12(16(23)24)8-22(20-14)7-11-6-21-5-10(9-1-2-9)3-4-13(21)19-11/h3-6,8-9,15H,1-2,7H2,(H,23,24)
InChIKeyVCXAXLXOPIYSBF-UHFFFAOYSA-N
XLogP3.09
TPSA72.42 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.31
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]-3-(difluoromethyl)pyrazole-4-carboxylic acid?
The IUPAC name of 1-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]-3-(difluoromethyl)pyrazole-4-carboxylic acid (CID 139487398) is 1-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]-3-(difluoromethyl)pyrazole-4-carboxylic acid.
What is the SMILES notation for 1-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]-3-(difluoromethyl)pyrazole-4-carboxylic acid?
The canonical SMILES for 1-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]-3-(difluoromethyl)pyrazole-4-carboxylic acid is O=C(O)c1cn(Cc2cn3cc(C4CC4)ccc3n2)nc1C(F)F.
What is the InChIKey of 1-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]-3-(difluoromethyl)pyrazole-4-carboxylic acid?
The InChIKey is VCXAXLXOPIYSBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14F2N4O2/c17-15(18)14-12(16(23)24)8-22(20-14)7-11-6-21-5-10(9-1-2-9)3-4-13(21)19-11/h3-6,8-9,15H,1-2,7H2,(H,23,24).
What are the key properties of 1-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]-3-(difluoromethyl)pyrazole-4-carboxylic acid?
1-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]-3-(difluoromethyl)pyrazole-4-carboxylic acid has a molecular weight of 332.31 g/mol, XLogP of 3.09, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]-3-(difluoromethyl)pyrazole-4-carboxylic acid is sourced from PubChem (CID 139487398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).