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

C21H22F2N4O2 — CID 154655174

IUPAC6-(difluoromethyl)-N-[8-ethyl-2-(oxan-4-yl)imidazo[1,2-a]pyridin-6-yl]pyridine-2-carboxamide
SMILESCCc1cc(NC(=O)c2cccc(C(F)F)n2)cn2cc(C3CCOCC3)nc12
InChIInChI=1S/C21H22F2N4O2/c1-2-13-10-15(24-21(28)17-5-3-4-16(25-17)19(22)23)11-27-12-18(26-20(13)27)14-6-8-29-9-7-14/h3-5,10-12,14,19H,2,6-9H2,1H3,(H,24,28)
InChIKeyRCDGOGKQSLQJQL-UHFFFAOYSA-N
MW400.43 g/mol
LogP4.38
Rot. Bonds5

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

6-(difluoromethyl)-N-[8-ethyl-2-(oxan-4-yl)imidazo[1,2-a]pyridin-6-yl]pyridine-2-carboxamide (PubChem CID 154655174) has the molecular formula C21H22F2N4O2 and a molecular weight of 400.43 g/mol. Its IUPAC name is 6-(difluoromethyl)-N-[8-ethyl-2-(oxan-4-yl)imidazo[1,2-a]pyridin-6-yl]pyridine-2-carboxamide.

Molecular Properties

Compound Name6-(difluoromethyl)-N-[8-ethyl-2-(oxan-4-yl)imidazo[1,2-a]pyridin-6-yl]pyridine-2-carboxamide
PubChem CID154655174
Molecular FormulaC21H22F2N4O2
Molecular Weight400.43 g/mol
Exact Mass400.17
IUPAC Name6-(difluoromethyl)-N-[8-ethyl-2-(oxan-4-yl)imidazo[1,2-a]pyridin-6-yl]pyridine-2-carboxamide
SMILESCCc1cc(NC(=O)c2cccc(C(F)F)n2)cn2cc(C3CCOCC3)nc12
InChIInChI=1S/C21H22F2N4O2/c1-2-13-10-15(24-21(28)17-5-3-4-16(25-17)19(22)23)11-27-12-18(26-20(13)27)14-6-8-29-9-7-14/h3-5,10-12,14,19H,2,6-9H2,1H3,(H,24,28)
InChIKeyRCDGOGKQSLQJQL-UHFFFAOYSA-N
XLogP4.38
TPSA68.52 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.43
LogP ≤ 54.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-(difluoromethyl)-N-[8-ethyl-2-(oxan-4-yl)imidazo[1,2-a]pyridin-6-yl]pyridine-2-carboxamide?
The IUPAC name of 6-(difluoromethyl)-N-[8-ethyl-2-(oxan-4-yl)imidazo[1,2-a]pyridin-6-yl]pyridine-2-carboxamide (CID 154655174) is 6-(difluoromethyl)-N-[8-ethyl-2-(oxan-4-yl)imidazo[1,2-a]pyridin-6-yl]pyridine-2-carboxamide.
What is the SMILES notation for 6-(difluoromethyl)-N-[8-ethyl-2-(oxan-4-yl)imidazo[1,2-a]pyridin-6-yl]pyridine-2-carboxamide?
The canonical SMILES for 6-(difluoromethyl)-N-[8-ethyl-2-(oxan-4-yl)imidazo[1,2-a]pyridin-6-yl]pyridine-2-carboxamide is CCc1cc(NC(=O)c2cccc(C(F)F)n2)cn2cc(C3CCOCC3)nc12.
What is the InChIKey of 6-(difluoromethyl)-N-[8-ethyl-2-(oxan-4-yl)imidazo[1,2-a]pyridin-6-yl]pyridine-2-carboxamide?
The InChIKey is RCDGOGKQSLQJQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22F2N4O2/c1-2-13-10-15(24-21(28)17-5-3-4-16(25-17)19(22)23)11-27-12-18(26-20(13)27)14-6-8-29-9-7-14/h3-5,10-12,14,19H,2,6-9H2,1H3,(H,24,28).
What are the key properties of 6-(difluoromethyl)-N-[8-ethyl-2-(oxan-4-yl)imidazo[1,2-a]pyridin-6-yl]pyridine-2-carboxamide?
6-(difluoromethyl)-N-[8-ethyl-2-(oxan-4-yl)imidazo[1,2-a]pyridin-6-yl]pyridine-2-carboxamide has a molecular weight of 400.43 g/mol, XLogP of 4.38, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(difluoromethyl)-N-[8-ethyl-2-(oxan-4-yl)imidazo[1,2-a]pyridin-6-yl]pyridine-2-carboxamide is sourced from PubChem (CID 154655174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).