N-[3-(azepan-1-yl)-2-hydroxypropyl]-3-fluoro-6-methylimidazo[1,2-a]pyridine-2-carboxamide

C18H25FN4O2 — CID 118787258

IUPACN-[3-(azepan-1-yl)-2-hydroxypropyl]-3-fluoro-6-methylimidazo[1,2-a]pyridine-2-carboxamide
SMILESCc1ccc2nc(C(=O)NCC(O)CN3CCCCCC3)c(F)n2c1
InChIInChI=1S/C18H25FN4O2/c1-13-6-7-15-21-16(17(19)23(15)11-13)18(25)20-10-14(24)12-22-8-4-2-3-5-9-22/h6-7,11,14,24H,2-5,8-10,12H2,1H3,(H,20,25)
InChIKeyFSWSRHFULLFLII-UHFFFAOYSA-N
MW348.42 g/mol
LogP1.75
Rot. Bonds5

About N-[3-(azepan-1-yl)-2-hydroxypropyl]-3-fluoro-6-methylimidazo[1,2-a]pyridine-2-carboxamide

N-[3-(azepan-1-yl)-2-hydroxypropyl]-3-fluoro-6-methylimidazo[1,2-a]pyridine-2-carboxamide (PubChem CID 118787258) has the molecular formula C18H25FN4O2 and a molecular weight of 348.42 g/mol. Its IUPAC name is N-[3-(azepan-1-yl)-2-hydroxypropyl]-3-fluoro-6-methylimidazo[1,2-a]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[3-(azepan-1-yl)-2-hydroxypropyl]-3-fluoro-6-methylimidazo[1,2-a]pyridine-2-carboxamide
PubChem CID118787258
Molecular FormulaC18H25FN4O2
Molecular Weight348.42 g/mol
Exact Mass348.20
IUPAC NameN-[3-(azepan-1-yl)-2-hydroxypropyl]-3-fluoro-6-methylimidazo[1,2-a]pyridine-2-carboxamide
SMILESCc1ccc2nc(C(=O)NCC(O)CN3CCCCCC3)c(F)n2c1
InChIInChI=1S/C18H25FN4O2/c1-13-6-7-15-21-16(17(19)23(15)11-13)18(25)20-10-14(24)12-22-8-4-2-3-5-9-22/h6-7,11,14,24H,2-5,8-10,12H2,1H3,(H,20,25)
InChIKeyFSWSRHFULLFLII-UHFFFAOYSA-N
XLogP1.75
TPSA69.87 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.42
LogP ≤ 51.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[3-(azepan-1-yl)-2-hydroxypropyl]-3-fluoro-6-methylimidazo[1,2-a]pyridine-2-carboxamide?
The IUPAC name of N-[3-(azepan-1-yl)-2-hydroxypropyl]-3-fluoro-6-methylimidazo[1,2-a]pyridine-2-carboxamide (CID 118787258) is N-[3-(azepan-1-yl)-2-hydroxypropyl]-3-fluoro-6-methylimidazo[1,2-a]pyridine-2-carboxamide.
What is the SMILES notation for N-[3-(azepan-1-yl)-2-hydroxypropyl]-3-fluoro-6-methylimidazo[1,2-a]pyridine-2-carboxamide?
The canonical SMILES for N-[3-(azepan-1-yl)-2-hydroxypropyl]-3-fluoro-6-methylimidazo[1,2-a]pyridine-2-carboxamide is Cc1ccc2nc(C(=O)NCC(O)CN3CCCCCC3)c(F)n2c1.
What is the InChIKey of N-[3-(azepan-1-yl)-2-hydroxypropyl]-3-fluoro-6-methylimidazo[1,2-a]pyridine-2-carboxamide?
The InChIKey is FSWSRHFULLFLII-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25FN4O2/c1-13-6-7-15-21-16(17(19)23(15)11-13)18(25)20-10-14(24)12-22-8-4-2-3-5-9-22/h6-7,11,14,24H,2-5,8-10,12H2,1H3,(H,20,25).
What are the key properties of N-[3-(azepan-1-yl)-2-hydroxypropyl]-3-fluoro-6-methylimidazo[1,2-a]pyridine-2-carboxamide?
N-[3-(azepan-1-yl)-2-hydroxypropyl]-3-fluoro-6-methylimidazo[1,2-a]pyridine-2-carboxamide has a molecular weight of 348.42 g/mol, XLogP of 1.75, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(azepan-1-yl)-2-hydroxypropyl]-3-fluoro-6-methylimidazo[1,2-a]pyridine-2-carboxamide is sourced from PubChem (CID 118787258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).