8-[(2,6-difluorophenyl)methoxy]-N-[1,3-dihydroxy-2-(4-methylphenyl)propan-2-yl]-2-methylimidazo[1,2-a]pyridine-3-carboxamide

C26H25F2N3O4 — CID 90090956

IUPAC8-[(2,6-difluorophenyl)methoxy]-N-[1,3-dihydroxy-2-(4-methylphenyl)propan-2-yl]-2-methylimidazo[1,2-a]pyridine-3-carboxamide
SMILESCc1ccc(C(CO)(CO)NC(=O)c2c(C)nc3c(OCc4c(F)cccc4F)cccn23)cc1
InChIInChI=1S/C26H25F2N3O4/c1-16-8-10-18(11-9-16)26(14-32,15-33)30-25(34)23-17(2)29-24-22(7-4-12-31(23)24)35-13-19-20(27)5-3-6-21(19)28/h3-12,32-33H,13-15H2,1-2H3,(H,30,34)
InChIKeyKLQCGBVOGZDTAQ-UHFFFAOYSA-N
MW481.50 g/mol
LogP3.42
Rot. Bonds8

About 8-[(2,6-difluorophenyl)methoxy]-N-[1,3-dihydroxy-2-(4-methylphenyl)propan-2-yl]-2-methylimidazo[1,2-a]pyridine-3-carboxamide

8-[(2,6-difluorophenyl)methoxy]-N-[1,3-dihydroxy-2-(4-methylphenyl)propan-2-yl]-2-methylimidazo[1,2-a]pyridine-3-carboxamide (PubChem CID 90090956) has the molecular formula C26H25F2N3O4 and a molecular weight of 481.50 g/mol. Its IUPAC name is 8-[(2,6-difluorophenyl)methoxy]-N-[1,3-dihydroxy-2-(4-methylphenyl)propan-2-yl]-2-methylimidazo[1,2-a]pyridine-3-carboxamide.

Molecular Properties

Compound Name8-[(2,6-difluorophenyl)methoxy]-N-[1,3-dihydroxy-2-(4-methylphenyl)propan-2-yl]-2-methylimidazo[1,2-a]pyridine-3-carboxamide
PubChem CID90090956
Molecular FormulaC26H25F2N3O4
Molecular Weight481.50 g/mol
Exact Mass481.18
IUPAC Name8-[(2,6-difluorophenyl)methoxy]-N-[1,3-dihydroxy-2-(4-methylphenyl)propan-2-yl]-2-methylimidazo[1,2-a]pyridine-3-carboxamide
SMILESCc1ccc(C(CO)(CO)NC(=O)c2c(C)nc3c(OCc4c(F)cccc4F)cccn23)cc1
InChIInChI=1S/C26H25F2N3O4/c1-16-8-10-18(11-9-16)26(14-32,15-33)30-25(34)23-17(2)29-24-22(7-4-12-31(23)24)35-13-19-20(27)5-3-6-21(19)28/h3-12,32-33H,13-15H2,1-2H3,(H,30,34)
InChIKeyKLQCGBVOGZDTAQ-UHFFFAOYSA-N
XLogP3.42
TPSA96.09 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500481.50
LogP ≤ 53.42
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 8-[(2,6-difluorophenyl)methoxy]-N-[1,3-dihydroxy-2-(4-methylphenyl)propan-2-yl]-2-methylimidazo[1,2-a]pyridine-3-carboxamide?
The IUPAC name of 8-[(2,6-difluorophenyl)methoxy]-N-[1,3-dihydroxy-2-(4-methylphenyl)propan-2-yl]-2-methylimidazo[1,2-a]pyridine-3-carboxamide (CID 90090956) is 8-[(2,6-difluorophenyl)methoxy]-N-[1,3-dihydroxy-2-(4-methylphenyl)propan-2-yl]-2-methylimidazo[1,2-a]pyridine-3-carboxamide.
What is the SMILES notation for 8-[(2,6-difluorophenyl)methoxy]-N-[1,3-dihydroxy-2-(4-methylphenyl)propan-2-yl]-2-methylimidazo[1,2-a]pyridine-3-carboxamide?
The canonical SMILES for 8-[(2,6-difluorophenyl)methoxy]-N-[1,3-dihydroxy-2-(4-methylphenyl)propan-2-yl]-2-methylimidazo[1,2-a]pyridine-3-carboxamide is Cc1ccc(C(CO)(CO)NC(=O)c2c(C)nc3c(OCc4c(F)cccc4F)cccn23)cc1.
What is the InChIKey of 8-[(2,6-difluorophenyl)methoxy]-N-[1,3-dihydroxy-2-(4-methylphenyl)propan-2-yl]-2-methylimidazo[1,2-a]pyridine-3-carboxamide?
The InChIKey is KLQCGBVOGZDTAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25F2N3O4/c1-16-8-10-18(11-9-16)26(14-32,15-33)30-25(34)23-17(2)29-24-22(7-4-12-31(23)24)35-13-19-20(27)5-3-6-21(19)28/h3-12,32-33H,13-15H2,1-2H3,(H,30,34).
What are the key properties of 8-[(2,6-difluorophenyl)methoxy]-N-[1,3-dihydroxy-2-(4-methylphenyl)propan-2-yl]-2-methylimidazo[1,2-a]pyridine-3-carboxamide?
8-[(2,6-difluorophenyl)methoxy]-N-[1,3-dihydroxy-2-(4-methylphenyl)propan-2-yl]-2-methylimidazo[1,2-a]pyridine-3-carboxamide has a molecular weight of 481.50 g/mol, XLogP of 3.42, 8 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[(2,6-difluorophenyl)methoxy]-N-[1,3-dihydroxy-2-(4-methylphenyl)propan-2-yl]-2-methylimidazo[1,2-a]pyridine-3-carboxamide is sourced from PubChem (CID 90090956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).