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

C22H31FN4O2 — CID 127039508

IUPACN-[1-[(4-fluorooxan-4-yl)methyl]piperidin-4-yl]-3-propan-2-ylimidazo[1,5-a]pyridine-1-carboxamide
SMILESCC(C)c1nc(C(=O)NC2CCN(CC3(F)CCOCC3)CC2)c2ccccn12
InChIInChI=1S/C22H31FN4O2/c1-16(2)20-25-19(18-5-3-4-10-27(18)20)21(28)24-17-6-11-26(12-7-17)15-22(23)8-13-29-14-9-22/h3-5,10,16-17H,6-9,11-15H2,1-2H3,(H,24,28)
InChIKeyMTJZVMDAUOIACH-UHFFFAOYSA-N
MW402.51 g/mol
LogP3.17
Rot. Bonds5

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

N-[1-[(4-fluorooxan-4-yl)methyl]piperidin-4-yl]-3-propan-2-ylimidazo[1,5-a]pyridine-1-carboxamide (PubChem CID 127039508) has the molecular formula C22H31FN4O2 and a molecular weight of 402.51 g/mol. Its IUPAC name is N-[1-[(4-fluorooxan-4-yl)methyl]piperidin-4-yl]-3-propan-2-ylimidazo[1,5-a]pyridine-1-carboxamide.

Molecular Properties

Compound NameN-[1-[(4-fluorooxan-4-yl)methyl]piperidin-4-yl]-3-propan-2-ylimidazo[1,5-a]pyridine-1-carboxamide
PubChem CID127039508
Molecular FormulaC22H31FN4O2
Molecular Weight402.51 g/mol
Exact Mass402.24
IUPAC NameN-[1-[(4-fluorooxan-4-yl)methyl]piperidin-4-yl]-3-propan-2-ylimidazo[1,5-a]pyridine-1-carboxamide
SMILESCC(C)c1nc(C(=O)NC2CCN(CC3(F)CCOCC3)CC2)c2ccccn12
InChIInChI=1S/C22H31FN4O2/c1-16(2)20-25-19(18-5-3-4-10-27(18)20)21(28)24-17-6-11-26(12-7-17)15-22(23)8-13-29-14-9-22/h3-5,10,16-17H,6-9,11-15H2,1-2H3,(H,24,28)
InChIKeyMTJZVMDAUOIACH-UHFFFAOYSA-N
XLogP3.17
TPSA58.87 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.51
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[1-[(4-fluorooxan-4-yl)methyl]piperidin-4-yl]-3-propan-2-ylimidazo[1,5-a]pyridine-1-carboxamide?
The IUPAC name of N-[1-[(4-fluorooxan-4-yl)methyl]piperidin-4-yl]-3-propan-2-ylimidazo[1,5-a]pyridine-1-carboxamide (CID 127039508) is N-[1-[(4-fluorooxan-4-yl)methyl]piperidin-4-yl]-3-propan-2-ylimidazo[1,5-a]pyridine-1-carboxamide.
What is the SMILES notation for N-[1-[(4-fluorooxan-4-yl)methyl]piperidin-4-yl]-3-propan-2-ylimidazo[1,5-a]pyridine-1-carboxamide?
The canonical SMILES for N-[1-[(4-fluorooxan-4-yl)methyl]piperidin-4-yl]-3-propan-2-ylimidazo[1,5-a]pyridine-1-carboxamide is CC(C)c1nc(C(=O)NC2CCN(CC3(F)CCOCC3)CC2)c2ccccn12.
What is the InChIKey of N-[1-[(4-fluorooxan-4-yl)methyl]piperidin-4-yl]-3-propan-2-ylimidazo[1,5-a]pyridine-1-carboxamide?
The InChIKey is MTJZVMDAUOIACH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H31FN4O2/c1-16(2)20-25-19(18-5-3-4-10-27(18)20)21(28)24-17-6-11-26(12-7-17)15-22(23)8-13-29-14-9-22/h3-5,10,16-17H,6-9,11-15H2,1-2H3,(H,24,28).
What are the key properties of N-[1-[(4-fluorooxan-4-yl)methyl]piperidin-4-yl]-3-propan-2-ylimidazo[1,5-a]pyridine-1-carboxamide?
N-[1-[(4-fluorooxan-4-yl)methyl]piperidin-4-yl]-3-propan-2-ylimidazo[1,5-a]pyridine-1-carboxamide has a molecular weight of 402.51 g/mol, XLogP of 3.17, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[(4-fluorooxan-4-yl)methyl]piperidin-4-yl]-3-propan-2-ylimidazo[1,5-a]pyridine-1-carboxamide is sourced from PubChem (CID 127039508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).