N-[2-fluoro-5-[[(1R,2R)-2-(hydroxymethyl)cyclohexyl]carbamoyl]phenyl]imidazo[1,2-a]pyridine-3-carboxamide

C22H23FN4O3 — CID 71282770

IUPACN-[2-fluoro-5-[[(1R,2R)-2-(hydroxymethyl)cyclohexyl]carbamoyl]phenyl]imidazo[1,2-a]pyridine-3-carboxamide
SMILESO=C(N[C@@H]1CCCC[C@H]1CO)c1ccc(F)c(NC(=O)c2cnc3ccccn23)c1
InChIInChI=1S/C22H23FN4O3/c23-16-9-8-14(21(29)25-17-6-2-1-5-15(17)13-28)11-18(16)26-22(30)19-12-24-20-7-3-4-10-27(19)20/h3-4,7-12,15,17,28H,1-2,5-6,13H2,(H,25,29)(H,26,30)/t15-,17+/m0/s1
InChIKeyRXCPGFULBPTIOR-DOTOQJQBSA-N
MW410.45 g/mol
LogP3.01
Rot. Bonds5

About N-[2-fluoro-5-[[(1R,2R)-2-(hydroxymethyl)cyclohexyl]carbamoyl]phenyl]imidazo[1,2-a]pyridine-3-carboxamide

N-[2-fluoro-5-[[(1R,2R)-2-(hydroxymethyl)cyclohexyl]carbamoyl]phenyl]imidazo[1,2-a]pyridine-3-carboxamide (PubChem CID 71282770) has the molecular formula C22H23FN4O3 and a molecular weight of 410.45 g/mol. Its IUPAC name is N-[2-fluoro-5-[[(1R,2R)-2-(hydroxymethyl)cyclohexyl]carbamoyl]phenyl]imidazo[1,2-a]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[2-fluoro-5-[[(1R,2R)-2-(hydroxymethyl)cyclohexyl]carbamoyl]phenyl]imidazo[1,2-a]pyridine-3-carboxamide
PubChem CID71282770
Molecular FormulaC22H23FN4O3
Molecular Weight410.45 g/mol
Exact Mass410.18
IUPAC NameN-[2-fluoro-5-[[(1R,2R)-2-(hydroxymethyl)cyclohexyl]carbamoyl]phenyl]imidazo[1,2-a]pyridine-3-carboxamide
SMILESO=C(N[C@@H]1CCCC[C@H]1CO)c1ccc(F)c(NC(=O)c2cnc3ccccn23)c1
InChIInChI=1S/C22H23FN4O3/c23-16-9-8-14(21(29)25-17-6-2-1-5-15(17)13-28)11-18(16)26-22(30)19-12-24-20-7-3-4-10-27(19)20/h3-4,7-12,15,17,28H,1-2,5-6,13H2,(H,25,29)(H,26,30)/t15-,17+/m0/s1
InChIKeyRXCPGFULBPTIOR-DOTOQJQBSA-N
XLogP3.01
TPSA95.73 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.45
LogP ≤ 53.01
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[2-fluoro-5-[[(1R,2R)-2-(hydroxymethyl)cyclohexyl]carbamoyl]phenyl]imidazo[1,2-a]pyridine-3-carboxamide?
The IUPAC name of N-[2-fluoro-5-[[(1R,2R)-2-(hydroxymethyl)cyclohexyl]carbamoyl]phenyl]imidazo[1,2-a]pyridine-3-carboxamide (CID 71282770) is N-[2-fluoro-5-[[(1R,2R)-2-(hydroxymethyl)cyclohexyl]carbamoyl]phenyl]imidazo[1,2-a]pyridine-3-carboxamide.
What is the SMILES notation for N-[2-fluoro-5-[[(1R,2R)-2-(hydroxymethyl)cyclohexyl]carbamoyl]phenyl]imidazo[1,2-a]pyridine-3-carboxamide?
The canonical SMILES for N-[2-fluoro-5-[[(1R,2R)-2-(hydroxymethyl)cyclohexyl]carbamoyl]phenyl]imidazo[1,2-a]pyridine-3-carboxamide is O=C(N[C@@H]1CCCC[C@H]1CO)c1ccc(F)c(NC(=O)c2cnc3ccccn23)c1.
What is the InChIKey of N-[2-fluoro-5-[[(1R,2R)-2-(hydroxymethyl)cyclohexyl]carbamoyl]phenyl]imidazo[1,2-a]pyridine-3-carboxamide?
The InChIKey is RXCPGFULBPTIOR-DOTOQJQBSA-N. The full InChI is InChI=1S/C22H23FN4O3/c23-16-9-8-14(21(29)25-17-6-2-1-5-15(17)13-28)11-18(16)26-22(30)19-12-24-20-7-3-4-10-27(19)20/h3-4,7-12,15,17,28H,1-2,5-6,13H2,(H,25,29)(H,26,30)/t15-,17+/m0/s1.
What are the key properties of N-[2-fluoro-5-[[(1R,2R)-2-(hydroxymethyl)cyclohexyl]carbamoyl]phenyl]imidazo[1,2-a]pyridine-3-carboxamide?
N-[2-fluoro-5-[[(1R,2R)-2-(hydroxymethyl)cyclohexyl]carbamoyl]phenyl]imidazo[1,2-a]pyridine-3-carboxamide has a molecular weight of 410.45 g/mol, XLogP of 3.01, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-fluoro-5-[[(1R,2R)-2-(hydroxymethyl)cyclohexyl]carbamoyl]phenyl]imidazo[1,2-a]pyridine-3-carboxamide is sourced from PubChem (CID 71282770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).