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

C23H33FN4O2 — CID 127041780

IUPACN-[[4-fluoro-1-(oxan-4-ylmethyl)piperidin-4-yl]methyl]-3-propan-2-ylimidazo[1,5-a]pyridine-1-carboxamide
SMILESCC(C)c1nc(C(=O)NCC2(F)CCN(CC3CCOCC3)CC2)c2ccccn12
InChIInChI=1S/C23H33FN4O2/c1-17(2)21-26-20(19-5-3-4-10-28(19)21)22(29)25-16-23(24)8-11-27(12-9-23)15-18-6-13-30-14-7-18/h3-5,10,17-18H,6-9,11-16H2,1-2H3,(H,25,29)
InChIKeyPFVMREDIGMDEPE-UHFFFAOYSA-N
MW416.54 g/mol
LogP3.42
Rot. Bonds6

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

N-[[4-fluoro-1-(oxan-4-ylmethyl)piperidin-4-yl]methyl]-3-propan-2-ylimidazo[1,5-a]pyridine-1-carboxamide (PubChem CID 127041780) has the molecular formula C23H33FN4O2 and a molecular weight of 416.54 g/mol. Its IUPAC name is N-[[4-fluoro-1-(oxan-4-ylmethyl)piperidin-4-yl]methyl]-3-propan-2-ylimidazo[1,5-a]pyridine-1-carboxamide.

Molecular Properties

Compound NameN-[[4-fluoro-1-(oxan-4-ylmethyl)piperidin-4-yl]methyl]-3-propan-2-ylimidazo[1,5-a]pyridine-1-carboxamide
PubChem CID127041780
Molecular FormulaC23H33FN4O2
Molecular Weight416.54 g/mol
Exact Mass416.26
IUPAC NameN-[[4-fluoro-1-(oxan-4-ylmethyl)piperidin-4-yl]methyl]-3-propan-2-ylimidazo[1,5-a]pyridine-1-carboxamide
SMILESCC(C)c1nc(C(=O)NCC2(F)CCN(CC3CCOCC3)CC2)c2ccccn12
InChIInChI=1S/C23H33FN4O2/c1-17(2)21-26-20(19-5-3-4-10-28(19)21)22(29)25-16-23(24)8-11-27(12-9-23)15-18-6-13-30-14-7-18/h3-5,10,17-18H,6-9,11-16H2,1-2H3,(H,25,29)
InChIKeyPFVMREDIGMDEPE-UHFFFAOYSA-N
XLogP3.42
TPSA58.87 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.54
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[[4-fluoro-1-(oxan-4-ylmethyl)piperidin-4-yl]methyl]-3-propan-2-ylimidazo[1,5-a]pyridine-1-carboxamide?
The IUPAC name of N-[[4-fluoro-1-(oxan-4-ylmethyl)piperidin-4-yl]methyl]-3-propan-2-ylimidazo[1,5-a]pyridine-1-carboxamide (CID 127041780) is N-[[4-fluoro-1-(oxan-4-ylmethyl)piperidin-4-yl]methyl]-3-propan-2-ylimidazo[1,5-a]pyridine-1-carboxamide.
What is the SMILES notation for N-[[4-fluoro-1-(oxan-4-ylmethyl)piperidin-4-yl]methyl]-3-propan-2-ylimidazo[1,5-a]pyridine-1-carboxamide?
The canonical SMILES for N-[[4-fluoro-1-(oxan-4-ylmethyl)piperidin-4-yl]methyl]-3-propan-2-ylimidazo[1,5-a]pyridine-1-carboxamide is CC(C)c1nc(C(=O)NCC2(F)CCN(CC3CCOCC3)CC2)c2ccccn12.
What is the InChIKey of N-[[4-fluoro-1-(oxan-4-ylmethyl)piperidin-4-yl]methyl]-3-propan-2-ylimidazo[1,5-a]pyridine-1-carboxamide?
The InChIKey is PFVMREDIGMDEPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H33FN4O2/c1-17(2)21-26-20(19-5-3-4-10-28(19)21)22(29)25-16-23(24)8-11-27(12-9-23)15-18-6-13-30-14-7-18/h3-5,10,17-18H,6-9,11-16H2,1-2H3,(H,25,29).
What are the key properties of N-[[4-fluoro-1-(oxan-4-ylmethyl)piperidin-4-yl]methyl]-3-propan-2-ylimidazo[1,5-a]pyridine-1-carboxamide?
N-[[4-fluoro-1-(oxan-4-ylmethyl)piperidin-4-yl]methyl]-3-propan-2-ylimidazo[1,5-a]pyridine-1-carboxamide has a molecular weight of 416.54 g/mol, XLogP of 3.42, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-fluoro-1-(oxan-4-ylmethyl)piperidin-4-yl]methyl]-3-propan-2-ylimidazo[1,5-a]pyridine-1-carboxamide is sourced from PubChem (CID 127041780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).