6-(difluoromethyl)-N-[7-(2-hydroxypropan-2-yl)-2-(oxan-4-yl)imidazo[1,2-a]pyridin-6-yl]pyridine-2-carboxamide

C22H24F2N4O3 — CID 154655385

IUPAC6-(difluoromethyl)-N-[7-(2-hydroxypropan-2-yl)-2-(oxan-4-yl)imidazo[1,2-a]pyridin-6-yl]pyridine-2-carboxamide
SMILESCC(C)(O)c1cc2nc(C3CCOCC3)cn2cc1NC(=O)c1cccc(C(F)F)n1
InChIInChI=1S/C22H24F2N4O3/c1-22(2,30)14-10-19-26-17(13-6-8-31-9-7-13)11-28(19)12-18(14)27-21(29)16-5-3-4-15(25-16)20(23)24/h3-5,10-13,20,30H,6-9H2,1-2H3,(H,27,29)
InChIKeyFQSDDQQBESNPST-UHFFFAOYSA-N
MW430.46 g/mol
LogP4.04
Rot. Bonds5

About 6-(difluoromethyl)-N-[7-(2-hydroxypropan-2-yl)-2-(oxan-4-yl)imidazo[1,2-a]pyridin-6-yl]pyridine-2-carboxamide

6-(difluoromethyl)-N-[7-(2-hydroxypropan-2-yl)-2-(oxan-4-yl)imidazo[1,2-a]pyridin-6-yl]pyridine-2-carboxamide (PubChem CID 154655385) has the molecular formula C22H24F2N4O3 and a molecular weight of 430.46 g/mol. Its IUPAC name is 6-(difluoromethyl)-N-[7-(2-hydroxypropan-2-yl)-2-(oxan-4-yl)imidazo[1,2-a]pyridin-6-yl]pyridine-2-carboxamide.

Molecular Properties

Compound Name6-(difluoromethyl)-N-[7-(2-hydroxypropan-2-yl)-2-(oxan-4-yl)imidazo[1,2-a]pyridin-6-yl]pyridine-2-carboxamide
PubChem CID154655385
Molecular FormulaC22H24F2N4O3
Molecular Weight430.46 g/mol
Exact Mass430.18
IUPAC Name6-(difluoromethyl)-N-[7-(2-hydroxypropan-2-yl)-2-(oxan-4-yl)imidazo[1,2-a]pyridin-6-yl]pyridine-2-carboxamide
SMILESCC(C)(O)c1cc2nc(C3CCOCC3)cn2cc1NC(=O)c1cccc(C(F)F)n1
InChIInChI=1S/C22H24F2N4O3/c1-22(2,30)14-10-19-26-17(13-6-8-31-9-7-13)11-28(19)12-18(14)27-21(29)16-5-3-4-15(25-16)20(23)24/h3-5,10-13,20,30H,6-9H2,1-2H3,(H,27,29)
InChIKeyFQSDDQQBESNPST-UHFFFAOYSA-N
XLogP4.04
TPSA88.75 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.46
LogP ≤ 54.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-(difluoromethyl)-N-[7-(2-hydroxypropan-2-yl)-2-(oxan-4-yl)imidazo[1,2-a]pyridin-6-yl]pyridine-2-carboxamide?
The IUPAC name of 6-(difluoromethyl)-N-[7-(2-hydroxypropan-2-yl)-2-(oxan-4-yl)imidazo[1,2-a]pyridin-6-yl]pyridine-2-carboxamide (CID 154655385) is 6-(difluoromethyl)-N-[7-(2-hydroxypropan-2-yl)-2-(oxan-4-yl)imidazo[1,2-a]pyridin-6-yl]pyridine-2-carboxamide.
What is the SMILES notation for 6-(difluoromethyl)-N-[7-(2-hydroxypropan-2-yl)-2-(oxan-4-yl)imidazo[1,2-a]pyridin-6-yl]pyridine-2-carboxamide?
The canonical SMILES for 6-(difluoromethyl)-N-[7-(2-hydroxypropan-2-yl)-2-(oxan-4-yl)imidazo[1,2-a]pyridin-6-yl]pyridine-2-carboxamide is CC(C)(O)c1cc2nc(C3CCOCC3)cn2cc1NC(=O)c1cccc(C(F)F)n1.
What is the InChIKey of 6-(difluoromethyl)-N-[7-(2-hydroxypropan-2-yl)-2-(oxan-4-yl)imidazo[1,2-a]pyridin-6-yl]pyridine-2-carboxamide?
The InChIKey is FQSDDQQBESNPST-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24F2N4O3/c1-22(2,30)14-10-19-26-17(13-6-8-31-9-7-13)11-28(19)12-18(14)27-21(29)16-5-3-4-15(25-16)20(23)24/h3-5,10-13,20,30H,6-9H2,1-2H3,(H,27,29).
What are the key properties of 6-(difluoromethyl)-N-[7-(2-hydroxypropan-2-yl)-2-(oxan-4-yl)imidazo[1,2-a]pyridin-6-yl]pyridine-2-carboxamide?
6-(difluoromethyl)-N-[7-(2-hydroxypropan-2-yl)-2-(oxan-4-yl)imidazo[1,2-a]pyridin-6-yl]pyridine-2-carboxamide has a molecular weight of 430.46 g/mol, XLogP of 4.04, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(difluoromethyl)-N-[7-(2-hydroxypropan-2-yl)-2-(oxan-4-yl)imidazo[1,2-a]pyridin-6-yl]pyridine-2-carboxamide is sourced from PubChem (CID 154655385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).