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

C19H12ClF3N4O2 — CID 25189995

IUPAC3-chloro-6-(furan-2-yl)-N-(pyridin-3-ylmethyl)-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carboxamide
SMILESO=C(NCc1cccnc1)c1nc2c(C(F)(F)F)cc(-c3ccco3)cn2c1Cl
InChIInChI=1S/C19H12ClF3N4O2/c20-16-15(18(28)25-9-11-3-1-5-24-8-11)26-17-13(19(21,22)23)7-12(10-27(16)17)14-4-2-6-29-14/h1-8,10H,9H2,(H,25,28)
InChIKeyYYMOOCRWRUBMDU-UHFFFAOYSA-N
MW420.78 g/mol
LogP4.59
Rot. Bonds4

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

3-chloro-6-(furan-2-yl)-N-(pyridin-3-ylmethyl)-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carboxamide (PubChem CID 25189995) has the molecular formula C19H12ClF3N4O2 and a molecular weight of 420.78 g/mol. Its IUPAC name is 3-chloro-6-(furan-2-yl)-N-(pyridin-3-ylmethyl)-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carboxamide.

Molecular Properties

Compound Name3-chloro-6-(furan-2-yl)-N-(pyridin-3-ylmethyl)-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carboxamide
PubChem CID25189995
Molecular FormulaC19H12ClF3N4O2
Molecular Weight420.78 g/mol
Exact Mass420.06
IUPAC Name3-chloro-6-(furan-2-yl)-N-(pyridin-3-ylmethyl)-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carboxamide
SMILESO=C(NCc1cccnc1)c1nc2c(C(F)(F)F)cc(-c3ccco3)cn2c1Cl
InChIInChI=1S/C19H12ClF3N4O2/c20-16-15(18(28)25-9-11-3-1-5-24-8-11)26-17-13(19(21,22)23)7-12(10-27(16)17)14-4-2-6-29-14/h1-8,10H,9H2,(H,25,28)
InChIKeyYYMOOCRWRUBMDU-UHFFFAOYSA-N
XLogP4.59
TPSA72.43 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.78
LogP ≤ 54.59
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-(pyridin-3-ylmethyl)-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carboxamide?
The IUPAC name of 3-chloro-6-(furan-2-yl)-N-(pyridin-3-ylmethyl)-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carboxamide (CID 25189995) is 3-chloro-6-(furan-2-yl)-N-(pyridin-3-ylmethyl)-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carboxamide.
What is the SMILES notation for 3-chloro-6-(furan-2-yl)-N-(pyridin-3-ylmethyl)-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carboxamide?
The canonical SMILES for 3-chloro-6-(furan-2-yl)-N-(pyridin-3-ylmethyl)-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carboxamide is O=C(NCc1cccnc1)c1nc2c(C(F)(F)F)cc(-c3ccco3)cn2c1Cl.
What is the InChIKey of 3-chloro-6-(furan-2-yl)-N-(pyridin-3-ylmethyl)-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carboxamide?
The InChIKey is YYMOOCRWRUBMDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H12ClF3N4O2/c20-16-15(18(28)25-9-11-3-1-5-24-8-11)26-17-13(19(21,22)23)7-12(10-27(16)17)14-4-2-6-29-14/h1-8,10H,9H2,(H,25,28).
What are the key properties of 3-chloro-6-(furan-2-yl)-N-(pyridin-3-ylmethyl)-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carboxamide?
3-chloro-6-(furan-2-yl)-N-(pyridin-3-ylmethyl)-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carboxamide has a molecular weight of 420.78 g/mol, XLogP of 4.59, 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-(pyridin-3-ylmethyl)-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carboxamide is sourced from PubChem (CID 25189995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).