3-chloro-6-(furan-2-yl)-N-[(1-methylpyrrol-2-yl)methyl]-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carboxamide

C19H14ClF3N4O2 — CID 25190170

IUPAC3-chloro-6-(furan-2-yl)-N-[(1-methylpyrrol-2-yl)methyl]-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carboxamide
SMILESCn1cccc1CNC(=O)c1nc2c(C(F)(F)F)cc(-c3ccco3)cn2c1Cl
InChIInChI=1S/C19H14ClF3N4O2/c1-26-6-2-4-12(26)9-24-18(28)15-16(20)27-10-11(14-5-3-7-29-14)8-13(17(27)25-15)19(21,22)23/h2-8,10H,9H2,1H3,(H,24,28)
InChIKeyDZMYQVHEQJAGEI-UHFFFAOYSA-N
MW422.79 g/mol
LogP4.53
Rot. Bonds4

About 3-chloro-6-(furan-2-yl)-N-[(1-methylpyrrol-2-yl)methyl]-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carboxamide

3-chloro-6-(furan-2-yl)-N-[(1-methylpyrrol-2-yl)methyl]-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carboxamide (PubChem CID 25190170) has the molecular formula C19H14ClF3N4O2 and a molecular weight of 422.79 g/mol. Its IUPAC name is 3-chloro-6-(furan-2-yl)-N-[(1-methylpyrrol-2-yl)methyl]-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carboxamide.

Molecular Properties

Compound Name3-chloro-6-(furan-2-yl)-N-[(1-methylpyrrol-2-yl)methyl]-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carboxamide
PubChem CID25190170
Molecular FormulaC19H14ClF3N4O2
Molecular Weight422.79 g/mol
Exact Mass422.08
IUPAC Name3-chloro-6-(furan-2-yl)-N-[(1-methylpyrrol-2-yl)methyl]-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carboxamide
SMILESCn1cccc1CNC(=O)c1nc2c(C(F)(F)F)cc(-c3ccco3)cn2c1Cl
InChIInChI=1S/C19H14ClF3N4O2/c1-26-6-2-4-12(26)9-24-18(28)15-16(20)27-10-11(14-5-3-7-29-14)8-13(17(27)25-15)19(21,22)23/h2-8,10H,9H2,1H3,(H,24,28)
InChIKeyDZMYQVHEQJAGEI-UHFFFAOYSA-N
XLogP4.53
TPSA64.47 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.79
LogP ≤ 54.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-6-(furan-2-yl)-N-[(1-methylpyrrol-2-yl)methyl]-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carboxamide?
The IUPAC name of 3-chloro-6-(furan-2-yl)-N-[(1-methylpyrrol-2-yl)methyl]-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carboxamide (CID 25190170) is 3-chloro-6-(furan-2-yl)-N-[(1-methylpyrrol-2-yl)methyl]-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carboxamide.
What is the SMILES notation for 3-chloro-6-(furan-2-yl)-N-[(1-methylpyrrol-2-yl)methyl]-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carboxamide?
The canonical SMILES for 3-chloro-6-(furan-2-yl)-N-[(1-methylpyrrol-2-yl)methyl]-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carboxamide is Cn1cccc1CNC(=O)c1nc2c(C(F)(F)F)cc(-c3ccco3)cn2c1Cl.
What is the InChIKey of 3-chloro-6-(furan-2-yl)-N-[(1-methylpyrrol-2-yl)methyl]-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carboxamide?
The InChIKey is DZMYQVHEQJAGEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14ClF3N4O2/c1-26-6-2-4-12(26)9-24-18(28)15-16(20)27-10-11(14-5-3-7-29-14)8-13(17(27)25-15)19(21,22)23/h2-8,10H,9H2,1H3,(H,24,28).
What are the key properties of 3-chloro-6-(furan-2-yl)-N-[(1-methylpyrrol-2-yl)methyl]-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carboxamide?
3-chloro-6-(furan-2-yl)-N-[(1-methylpyrrol-2-yl)methyl]-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carboxamide has a molecular weight of 422.79 g/mol, XLogP of 4.53, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-6-(furan-2-yl)-N-[(1-methylpyrrol-2-yl)methyl]-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carboxamide is sourced from PubChem (CID 25190170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).