6-(difluoromethyl)-N-[3-fluoro-8-methoxy-2-(oxan-4-yl)imidazo[1,2-a]pyridin-6-yl]pyridine-2-carboxamide

C20H19F3N4O3 — CID 154655641

IUPAC6-(difluoromethyl)-N-[3-fluoro-8-methoxy-2-(oxan-4-yl)imidazo[1,2-a]pyridin-6-yl]pyridine-2-carboxamide
SMILESCOc1cc(NC(=O)c2cccc(C(F)F)n2)cn2c(F)c(C3CCOCC3)nc12
InChIInChI=1S/C20H19F3N4O3/c1-29-15-9-12(24-20(28)14-4-2-3-13(25-14)17(21)22)10-27-18(23)16(26-19(15)27)11-5-7-30-8-6-11/h2-4,9-11,17H,5-8H2,1H3,(H,24,28)
InChIKeyBOUQWSBLTKPGBD-UHFFFAOYSA-N
MW420.39 g/mol
LogP3.96
Rot. Bonds5

About 6-(difluoromethyl)-N-[3-fluoro-8-methoxy-2-(oxan-4-yl)imidazo[1,2-a]pyridin-6-yl]pyridine-2-carboxamide

6-(difluoromethyl)-N-[3-fluoro-8-methoxy-2-(oxan-4-yl)imidazo[1,2-a]pyridin-6-yl]pyridine-2-carboxamide (PubChem CID 154655641) has the molecular formula C20H19F3N4O3 and a molecular weight of 420.39 g/mol. Its IUPAC name is 6-(difluoromethyl)-N-[3-fluoro-8-methoxy-2-(oxan-4-yl)imidazo[1,2-a]pyridin-6-yl]pyridine-2-carboxamide.

Molecular Properties

Compound Name6-(difluoromethyl)-N-[3-fluoro-8-methoxy-2-(oxan-4-yl)imidazo[1,2-a]pyridin-6-yl]pyridine-2-carboxamide
PubChem CID154655641
Molecular FormulaC20H19F3N4O3
Molecular Weight420.39 g/mol
Exact Mass420.14
IUPAC Name6-(difluoromethyl)-N-[3-fluoro-8-methoxy-2-(oxan-4-yl)imidazo[1,2-a]pyridin-6-yl]pyridine-2-carboxamide
SMILESCOc1cc(NC(=O)c2cccc(C(F)F)n2)cn2c(F)c(C3CCOCC3)nc12
InChIInChI=1S/C20H19F3N4O3/c1-29-15-9-12(24-20(28)14-4-2-3-13(25-14)17(21)22)10-27-18(23)16(26-19(15)27)11-5-7-30-8-6-11/h2-4,9-11,17H,5-8H2,1H3,(H,24,28)
InChIKeyBOUQWSBLTKPGBD-UHFFFAOYSA-N
XLogP3.96
TPSA77.75 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.39
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-(difluoromethyl)-N-[3-fluoro-8-methoxy-2-(oxan-4-yl)imidazo[1,2-a]pyridin-6-yl]pyridine-2-carboxamide?
The IUPAC name of 6-(difluoromethyl)-N-[3-fluoro-8-methoxy-2-(oxan-4-yl)imidazo[1,2-a]pyridin-6-yl]pyridine-2-carboxamide (CID 154655641) is 6-(difluoromethyl)-N-[3-fluoro-8-methoxy-2-(oxan-4-yl)imidazo[1,2-a]pyridin-6-yl]pyridine-2-carboxamide.
What is the SMILES notation for 6-(difluoromethyl)-N-[3-fluoro-8-methoxy-2-(oxan-4-yl)imidazo[1,2-a]pyridin-6-yl]pyridine-2-carboxamide?
The canonical SMILES for 6-(difluoromethyl)-N-[3-fluoro-8-methoxy-2-(oxan-4-yl)imidazo[1,2-a]pyridin-6-yl]pyridine-2-carboxamide is COc1cc(NC(=O)c2cccc(C(F)F)n2)cn2c(F)c(C3CCOCC3)nc12.
What is the InChIKey of 6-(difluoromethyl)-N-[3-fluoro-8-methoxy-2-(oxan-4-yl)imidazo[1,2-a]pyridin-6-yl]pyridine-2-carboxamide?
The InChIKey is BOUQWSBLTKPGBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19F3N4O3/c1-29-15-9-12(24-20(28)14-4-2-3-13(25-14)17(21)22)10-27-18(23)16(26-19(15)27)11-5-7-30-8-6-11/h2-4,9-11,17H,5-8H2,1H3,(H,24,28).
What are the key properties of 6-(difluoromethyl)-N-[3-fluoro-8-methoxy-2-(oxan-4-yl)imidazo[1,2-a]pyridin-6-yl]pyridine-2-carboxamide?
6-(difluoromethyl)-N-[3-fluoro-8-methoxy-2-(oxan-4-yl)imidazo[1,2-a]pyridin-6-yl]pyridine-2-carboxamide has a molecular weight of 420.39 g/mol, XLogP of 3.96, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(difluoromethyl)-N-[3-fluoro-8-methoxy-2-(oxan-4-yl)imidazo[1,2-a]pyridin-6-yl]pyridine-2-carboxamide is sourced from PubChem (CID 154655641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).