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

C23H23F5N4O5 — CID 154998568

IUPAC6-(difluoromethyl)-N-[7-(methoxymethyl)-2-(oxan-4-yl)imidazo[1,2-a]pyridin-6-yl]pyridine-2-carboxamide;2,2,2-trifluoroacetic acid
SMILESCOCc1cc2nc(C3CCOCC3)cn2cc1NC(=O)c1cccc(C(F)F)n1.O=C(O)C(F)(F)F
InChIInChI=1S/C21H22F2N4O3.C2HF3O2/c1-29-12-14-9-19-25-17(13-5-7-30-8-6-13)10-27(19)11-18(14)26-21(28)16-4-2-3-15(24-16)20(22)23;3-2(4,5)1(6)7/h2-4,9-11,13,20H,5-8,12H2,1H3,(H,26,28);(H,6,7)
InChIKeyNUCGCVFXQFLWLC-UHFFFAOYSA-N
MW530.45 g/mol
LogP4.59
Rot. Bonds6

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

6-(difluoromethyl)-N-[7-(methoxymethyl)-2-(oxan-4-yl)imidazo[1,2-a]pyridin-6-yl]pyridine-2-carboxamide;2,2,2-trifluoroacetic acid (PubChem CID 154998568) has the molecular formula C23H23F5N4O5 and a molecular weight of 530.45 g/mol. Its IUPAC name is 6-(difluoromethyl)-N-[7-(methoxymethyl)-2-(oxan-4-yl)imidazo[1,2-a]pyridin-6-yl]pyridine-2-carboxamide;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound Name6-(difluoromethyl)-N-[7-(methoxymethyl)-2-(oxan-4-yl)imidazo[1,2-a]pyridin-6-yl]pyridine-2-carboxamide;2,2,2-trifluoroacetic acid
PubChem CID154998568
Molecular FormulaC23H23F5N4O5
Molecular Weight530.45 g/mol
Exact Mass530.16
IUPAC Name6-(difluoromethyl)-N-[7-(methoxymethyl)-2-(oxan-4-yl)imidazo[1,2-a]pyridin-6-yl]pyridine-2-carboxamide;2,2,2-trifluoroacetic acid
SMILESCOCc1cc2nc(C3CCOCC3)cn2cc1NC(=O)c1cccc(C(F)F)n1.O=C(O)C(F)(F)F
InChIInChI=1S/C21H22F2N4O3.C2HF3O2/c1-29-12-14-9-19-25-17(13-5-7-30-8-6-13)10-27(19)11-18(14)26-21(28)16-4-2-3-15(24-16)20(22)23;3-2(4,5)1(6)7/h2-4,9-11,13,20H,5-8,12H2,1H3,(H,26,28);(H,6,7)
InChIKeyNUCGCVFXQFLWLC-UHFFFAOYSA-N
XLogP4.59
TPSA115.05 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500530.45
LogP ≤ 54.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 6-(difluoromethyl)-N-[7-(methoxymethyl)-2-(oxan-4-yl)imidazo[1,2-a]pyridin-6-yl]pyridine-2-carboxamide;2,2,2-trifluoroacetic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 6-(difluoromethyl)-N-[7-(methoxymethyl)-2-(oxan-4-yl)imidazo[1,2-a]pyridin-6-yl]pyridine-2-carboxamide;2,2,2-trifluoroacetic acid?
The IUPAC name of 6-(difluoromethyl)-N-[7-(methoxymethyl)-2-(oxan-4-yl)imidazo[1,2-a]pyridin-6-yl]pyridine-2-carboxamide;2,2,2-trifluoroacetic acid (CID 154998568) is 6-(difluoromethyl)-N-[7-(methoxymethyl)-2-(oxan-4-yl)imidazo[1,2-a]pyridin-6-yl]pyridine-2-carboxamide;2,2,2-trifluoroacetic acid.
What is the SMILES notation for 6-(difluoromethyl)-N-[7-(methoxymethyl)-2-(oxan-4-yl)imidazo[1,2-a]pyridin-6-yl]pyridine-2-carboxamide;2,2,2-trifluoroacetic acid?
The canonical SMILES for 6-(difluoromethyl)-N-[7-(methoxymethyl)-2-(oxan-4-yl)imidazo[1,2-a]pyridin-6-yl]pyridine-2-carboxamide;2,2,2-trifluoroacetic acid is COCc1cc2nc(C3CCOCC3)cn2cc1NC(=O)c1cccc(C(F)F)n1.O=C(O)C(F)(F)F.
What is the InChIKey of 6-(difluoromethyl)-N-[7-(methoxymethyl)-2-(oxan-4-yl)imidazo[1,2-a]pyridin-6-yl]pyridine-2-carboxamide;2,2,2-trifluoroacetic acid?
The InChIKey is NUCGCVFXQFLWLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22F2N4O3.C2HF3O2/c1-29-12-14-9-19-25-17(13-5-7-30-8-6-13)10-27(19)11-18(14)26-21(28)16-4-2-3-15(24-16)20(22)23;3-2(4,5)1(6)7/h2-4,9-11,13,20H,5-8,12H2,1H3,(H,26,28);(H,6,7).
What are the key properties of 6-(difluoromethyl)-N-[7-(methoxymethyl)-2-(oxan-4-yl)imidazo[1,2-a]pyridin-6-yl]pyridine-2-carboxamide;2,2,2-trifluoroacetic acid?
6-(difluoromethyl)-N-[7-(methoxymethyl)-2-(oxan-4-yl)imidazo[1,2-a]pyridin-6-yl]pyridine-2-carboxamide;2,2,2-trifluoroacetic acid has a molecular weight of 530.45 g/mol, XLogP of 4.59, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(difluoromethyl)-N-[7-(methoxymethyl)-2-(oxan-4-yl)imidazo[1,2-a]pyridin-6-yl]pyridine-2-carboxamide;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 154998568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).