N-[[4-fluoro-1-(3-methoxypropyl)piperidin-4-yl]methyl]-3-propan-2-ylimidazo[1,5-a]pyridine-1-carboxamide

C21H31FN4O2 — CID 127041779

IUPACN-[[4-fluoro-1-(3-methoxypropyl)piperidin-4-yl]methyl]-3-propan-2-ylimidazo[1,5-a]pyridine-1-carboxamide
SMILESCOCCCN1CCC(F)(CNC(=O)c2nc(C(C)C)n3ccccc23)CC1
InChIInChI=1S/C21H31FN4O2/c1-16(2)19-24-18(17-7-4-5-11-26(17)19)20(27)23-15-21(22)8-12-25(13-9-21)10-6-14-28-3/h4-5,7,11,16H,6,8-10,12-15H2,1-3H3,(H,23,27)
InChIKeyBHTFGLVKTBURRE-UHFFFAOYSA-N
MW390.50 g/mol
LogP3.03
Rot. Bonds8

About N-[[4-fluoro-1-(3-methoxypropyl)piperidin-4-yl]methyl]-3-propan-2-ylimidazo[1,5-a]pyridine-1-carboxamide

N-[[4-fluoro-1-(3-methoxypropyl)piperidin-4-yl]methyl]-3-propan-2-ylimidazo[1,5-a]pyridine-1-carboxamide (PubChem CID 127041779) has the molecular formula C21H31FN4O2 and a molecular weight of 390.50 g/mol. Its IUPAC name is N-[[4-fluoro-1-(3-methoxypropyl)piperidin-4-yl]methyl]-3-propan-2-ylimidazo[1,5-a]pyridine-1-carboxamide.

Molecular Properties

Compound NameN-[[4-fluoro-1-(3-methoxypropyl)piperidin-4-yl]methyl]-3-propan-2-ylimidazo[1,5-a]pyridine-1-carboxamide
PubChem CID127041779
Molecular FormulaC21H31FN4O2
Molecular Weight390.50 g/mol
Exact Mass390.24
IUPAC NameN-[[4-fluoro-1-(3-methoxypropyl)piperidin-4-yl]methyl]-3-propan-2-ylimidazo[1,5-a]pyridine-1-carboxamide
SMILESCOCCCN1CCC(F)(CNC(=O)c2nc(C(C)C)n3ccccc23)CC1
InChIInChI=1S/C21H31FN4O2/c1-16(2)19-24-18(17-7-4-5-11-26(17)19)20(27)23-15-21(22)8-12-25(13-9-21)10-6-14-28-3/h4-5,7,11,16H,6,8-10,12-15H2,1-3H3,(H,23,27)
InChIKeyBHTFGLVKTBURRE-UHFFFAOYSA-N
XLogP3.03
TPSA58.87 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.50
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[[4-fluoro-1-(3-methoxypropyl)piperidin-4-yl]methyl]-3-propan-2-ylimidazo[1,5-a]pyridine-1-carboxamide?
The IUPAC name of N-[[4-fluoro-1-(3-methoxypropyl)piperidin-4-yl]methyl]-3-propan-2-ylimidazo[1,5-a]pyridine-1-carboxamide (CID 127041779) is N-[[4-fluoro-1-(3-methoxypropyl)piperidin-4-yl]methyl]-3-propan-2-ylimidazo[1,5-a]pyridine-1-carboxamide.
What is the SMILES notation for N-[[4-fluoro-1-(3-methoxypropyl)piperidin-4-yl]methyl]-3-propan-2-ylimidazo[1,5-a]pyridine-1-carboxamide?
The canonical SMILES for N-[[4-fluoro-1-(3-methoxypropyl)piperidin-4-yl]methyl]-3-propan-2-ylimidazo[1,5-a]pyridine-1-carboxamide is COCCCN1CCC(F)(CNC(=O)c2nc(C(C)C)n3ccccc23)CC1.
What is the InChIKey of N-[[4-fluoro-1-(3-methoxypropyl)piperidin-4-yl]methyl]-3-propan-2-ylimidazo[1,5-a]pyridine-1-carboxamide?
The InChIKey is BHTFGLVKTBURRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H31FN4O2/c1-16(2)19-24-18(17-7-4-5-11-26(17)19)20(27)23-15-21(22)8-12-25(13-9-21)10-6-14-28-3/h4-5,7,11,16H,6,8-10,12-15H2,1-3H3,(H,23,27).
What are the key properties of N-[[4-fluoro-1-(3-methoxypropyl)piperidin-4-yl]methyl]-3-propan-2-ylimidazo[1,5-a]pyridine-1-carboxamide?
N-[[4-fluoro-1-(3-methoxypropyl)piperidin-4-yl]methyl]-3-propan-2-ylimidazo[1,5-a]pyridine-1-carboxamide has a molecular weight of 390.50 g/mol, XLogP of 3.03, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-fluoro-1-(3-methoxypropyl)piperidin-4-yl]methyl]-3-propan-2-ylimidazo[1,5-a]pyridine-1-carboxamide is sourced from PubChem (CID 127041779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).