N-(4-fluorophenyl)-5-[3-(5-fluoro-3-pyridinyl)-2-(hydroxymethyl)imidazo[1,2-a]pyridin-8-yl]-2-methylpyridine-3-carboxamide

C26H19F2N5O2 — CID 146307393

IUPACN-(4-fluorophenyl)-5-[3-(5-fluoro-3-pyridinyl)-2-(hydroxymethyl)imidazo[1,2-a]pyridin-8-yl]-2-methylpyridine-3-carboxamide
SMILESCc1ncc(-c2cccn3c(-c4cncc(F)c4)c(CO)nc23)cc1C(=O)Nc1ccc(F)cc1
InChIInChI=1S/C26H19F2N5O2/c1-15-22(26(35)31-20-6-4-18(27)5-7-20)10-16(12-30-15)21-3-2-8-33-24(23(14-34)32-25(21)33)17-9-19(28)13-29-11-17/h2-13,34H,14H2,1H3,(H,31,35)
InChIKeyOBBITEQRGXSTDB-UHFFFAOYSA-N
MW471.47 g/mol
LogP4.79
Rot. Bonds5

About N-(4-fluorophenyl)-5-[3-(5-fluoro-3-pyridinyl)-2-(hydroxymethyl)imidazo[1,2-a]pyridin-8-yl]-2-methylpyridine-3-carboxamide

N-(4-fluorophenyl)-5-[3-(5-fluoro-3-pyridinyl)-2-(hydroxymethyl)imidazo[1,2-a]pyridin-8-yl]-2-methylpyridine-3-carboxamide (PubChem CID 146307393) has the molecular formula C26H19F2N5O2 and a molecular weight of 471.47 g/mol. Its IUPAC name is N-(4-fluorophenyl)-5-[3-(5-fluoro-3-pyridinyl)-2-(hydroxymethyl)imidazo[1,2-a]pyridin-8-yl]-2-methylpyridine-3-carboxamide.

Molecular Properties

Compound NameN-(4-fluorophenyl)-5-[3-(5-fluoro-3-pyridinyl)-2-(hydroxymethyl)imidazo[1,2-a]pyridin-8-yl]-2-methylpyridine-3-carboxamide
PubChem CID146307393
Molecular FormulaC26H19F2N5O2
Molecular Weight471.47 g/mol
Exact Mass471.15
IUPAC NameN-(4-fluorophenyl)-5-[3-(5-fluoro-3-pyridinyl)-2-(hydroxymethyl)imidazo[1,2-a]pyridin-8-yl]-2-methylpyridine-3-carboxamide
SMILESCc1ncc(-c2cccn3c(-c4cncc(F)c4)c(CO)nc23)cc1C(=O)Nc1ccc(F)cc1
InChIInChI=1S/C26H19F2N5O2/c1-15-22(26(35)31-20-6-4-18(27)5-7-20)10-16(12-30-15)21-3-2-8-33-24(23(14-34)32-25(21)33)17-9-19(28)13-29-11-17/h2-13,34H,14H2,1H3,(H,31,35)
InChIKeyOBBITEQRGXSTDB-UHFFFAOYSA-N
XLogP4.79
TPSA92.41 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500471.47
LogP ≤ 54.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(4-fluorophenyl)-5-[3-(5-fluoro-3-pyridinyl)-2-(hydroxymethyl)imidazo[1,2-a]pyridin-8-yl]-2-methylpyridine-3-carboxamide?
The IUPAC name of N-(4-fluorophenyl)-5-[3-(5-fluoro-3-pyridinyl)-2-(hydroxymethyl)imidazo[1,2-a]pyridin-8-yl]-2-methylpyridine-3-carboxamide (CID 146307393) is N-(4-fluorophenyl)-5-[3-(5-fluoro-3-pyridinyl)-2-(hydroxymethyl)imidazo[1,2-a]pyridin-8-yl]-2-methylpyridine-3-carboxamide.
What is the SMILES notation for N-(4-fluorophenyl)-5-[3-(5-fluoro-3-pyridinyl)-2-(hydroxymethyl)imidazo[1,2-a]pyridin-8-yl]-2-methylpyridine-3-carboxamide?
The canonical SMILES for N-(4-fluorophenyl)-5-[3-(5-fluoro-3-pyridinyl)-2-(hydroxymethyl)imidazo[1,2-a]pyridin-8-yl]-2-methylpyridine-3-carboxamide is Cc1ncc(-c2cccn3c(-c4cncc(F)c4)c(CO)nc23)cc1C(=O)Nc1ccc(F)cc1.
What is the InChIKey of N-(4-fluorophenyl)-5-[3-(5-fluoro-3-pyridinyl)-2-(hydroxymethyl)imidazo[1,2-a]pyridin-8-yl]-2-methylpyridine-3-carboxamide?
The InChIKey is OBBITEQRGXSTDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H19F2N5O2/c1-15-22(26(35)31-20-6-4-18(27)5-7-20)10-16(12-30-15)21-3-2-8-33-24(23(14-34)32-25(21)33)17-9-19(28)13-29-11-17/h2-13,34H,14H2,1H3,(H,31,35).
What are the key properties of N-(4-fluorophenyl)-5-[3-(5-fluoro-3-pyridinyl)-2-(hydroxymethyl)imidazo[1,2-a]pyridin-8-yl]-2-methylpyridine-3-carboxamide?
N-(4-fluorophenyl)-5-[3-(5-fluoro-3-pyridinyl)-2-(hydroxymethyl)imidazo[1,2-a]pyridin-8-yl]-2-methylpyridine-3-carboxamide has a molecular weight of 471.47 g/mol, XLogP of 4.79, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-fluorophenyl)-5-[3-(5-fluoro-3-pyridinyl)-2-(hydroxymethyl)imidazo[1,2-a]pyridin-8-yl]-2-methylpyridine-3-carboxamide is sourced from PubChem (CID 146307393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).