2-(4-fluorophenyl)-N-(1,4-oxazepan-6-ylmethyl)imidazo[1,2-a]pyridine-6-carboxamide

C20H21FN4O2 — CID 72906872

IUPAC2-(4-fluorophenyl)-N-(1,4-oxazepan-6-ylmethyl)imidazo[1,2-a]pyridine-6-carboxamide
SMILESO=C(NCC1CNCCOC1)c1ccc2nc(-c3ccc(F)cc3)cn2c1
InChIInChI=1S/C20H21FN4O2/c21-17-4-1-15(2-5-17)18-12-25-11-16(3-6-19(25)24-18)20(26)23-10-14-9-22-7-8-27-13-14/h1-6,11-12,14,22H,7-10,13H2,(H,23,26)
InChIKeyKBMNSJDPLRYEER-UHFFFAOYSA-N
MW368.41 g/mol
LogP2.11
Rot. Bonds4

About 2-(4-fluorophenyl)-N-(1,4-oxazepan-6-ylmethyl)imidazo[1,2-a]pyridine-6-carboxamide

2-(4-fluorophenyl)-N-(1,4-oxazepan-6-ylmethyl)imidazo[1,2-a]pyridine-6-carboxamide (PubChem CID 72906872) has the molecular formula C20H21FN4O2 and a molecular weight of 368.41 g/mol. Its IUPAC name is 2-(4-fluorophenyl)-N-(1,4-oxazepan-6-ylmethyl)imidazo[1,2-a]pyridine-6-carboxamide.

Molecular Properties

Compound Name2-(4-fluorophenyl)-N-(1,4-oxazepan-6-ylmethyl)imidazo[1,2-a]pyridine-6-carboxamide
PubChem CID72906872
Molecular FormulaC20H21FN4O2
Molecular Weight368.41 g/mol
Exact Mass368.16
IUPAC Name2-(4-fluorophenyl)-N-(1,4-oxazepan-6-ylmethyl)imidazo[1,2-a]pyridine-6-carboxamide
SMILESO=C(NCC1CNCCOC1)c1ccc2nc(-c3ccc(F)cc3)cn2c1
InChIInChI=1S/C20H21FN4O2/c21-17-4-1-15(2-5-17)18-12-25-11-16(3-6-19(25)24-18)20(26)23-10-14-9-22-7-8-27-13-14/h1-6,11-12,14,22H,7-10,13H2,(H,23,26)
InChIKeyKBMNSJDPLRYEER-UHFFFAOYSA-N
XLogP2.11
TPSA67.66 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.41
LogP ≤ 52.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)-N-(1,4-oxazepan-6-ylmethyl)imidazo[1,2-a]pyridine-6-carboxamide?
The IUPAC name of 2-(4-fluorophenyl)-N-(1,4-oxazepan-6-ylmethyl)imidazo[1,2-a]pyridine-6-carboxamide (CID 72906872) is 2-(4-fluorophenyl)-N-(1,4-oxazepan-6-ylmethyl)imidazo[1,2-a]pyridine-6-carboxamide.
What is the SMILES notation for 2-(4-fluorophenyl)-N-(1,4-oxazepan-6-ylmethyl)imidazo[1,2-a]pyridine-6-carboxamide?
The canonical SMILES for 2-(4-fluorophenyl)-N-(1,4-oxazepan-6-ylmethyl)imidazo[1,2-a]pyridine-6-carboxamide is O=C(NCC1CNCCOC1)c1ccc2nc(-c3ccc(F)cc3)cn2c1.
What is the InChIKey of 2-(4-fluorophenyl)-N-(1,4-oxazepan-6-ylmethyl)imidazo[1,2-a]pyridine-6-carboxamide?
The InChIKey is KBMNSJDPLRYEER-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21FN4O2/c21-17-4-1-15(2-5-17)18-12-25-11-16(3-6-19(25)24-18)20(26)23-10-14-9-22-7-8-27-13-14/h1-6,11-12,14,22H,7-10,13H2,(H,23,26).
What are the key properties of 2-(4-fluorophenyl)-N-(1,4-oxazepan-6-ylmethyl)imidazo[1,2-a]pyridine-6-carboxamide?
2-(4-fluorophenyl)-N-(1,4-oxazepan-6-ylmethyl)imidazo[1,2-a]pyridine-6-carboxamide has a molecular weight of 368.41 g/mol, XLogP of 2.11, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)-N-(1,4-oxazepan-6-ylmethyl)imidazo[1,2-a]pyridine-6-carboxamide is sourced from PubChem (CID 72906872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).