1-N-[(2-fluorophenyl)methyl]-3-N-(3-methylbutyl)imidazo[1,5-a]pyridine-1,3-dicarboxamide

C21H23FN4O2 — CID 109070474

IUPAC1-N-[(2-fluorophenyl)methyl]-3-N-(3-methylbutyl)imidazo[1,5-a]pyridine-1,3-dicarboxamide
SMILESCC(C)CCNC(=O)c1nc(C(=O)NCc2ccccc2F)c2ccccn12
InChIInChI=1S/C21H23FN4O2/c1-14(2)10-11-23-21(28)19-25-18(17-9-5-6-12-26(17)19)20(27)24-13-15-7-3-4-8-16(15)22/h3-9,12,14H,10-11,13H2,1-2H3,(H,23,28)(H,24,27)
InChIKeyVVUWTYZSWDOABO-UHFFFAOYSA-N
MW382.44 g/mol
LogP3.18
Rot. Bonds7

About 1-N-[(2-fluorophenyl)methyl]-3-N-(3-methylbutyl)imidazo[1,5-a]pyridine-1,3-dicarboxamide

1-N-[(2-fluorophenyl)methyl]-3-N-(3-methylbutyl)imidazo[1,5-a]pyridine-1,3-dicarboxamide (PubChem CID 109070474) has the molecular formula C21H23FN4O2 and a molecular weight of 382.44 g/mol. Its IUPAC name is 1-N-[(2-fluorophenyl)methyl]-3-N-(3-methylbutyl)imidazo[1,5-a]pyridine-1,3-dicarboxamide.

Molecular Properties

Compound Name1-N-[(2-fluorophenyl)methyl]-3-N-(3-methylbutyl)imidazo[1,5-a]pyridine-1,3-dicarboxamide
PubChem CID109070474
Molecular FormulaC21H23FN4O2
Molecular Weight382.44 g/mol
Exact Mass382.18
IUPAC Name1-N-[(2-fluorophenyl)methyl]-3-N-(3-methylbutyl)imidazo[1,5-a]pyridine-1,3-dicarboxamide
SMILESCC(C)CCNC(=O)c1nc(C(=O)NCc2ccccc2F)c2ccccn12
InChIInChI=1S/C21H23FN4O2/c1-14(2)10-11-23-21(28)19-25-18(17-9-5-6-12-26(17)19)20(27)24-13-15-7-3-4-8-16(15)22/h3-9,12,14H,10-11,13H2,1-2H3,(H,23,28)(H,24,27)
InChIKeyVVUWTYZSWDOABO-UHFFFAOYSA-N
XLogP3.18
TPSA75.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.44
LogP ≤ 53.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-N-[(2-fluorophenyl)methyl]-1-N-pentylimidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109070485
3-N-[(2-fluorophenyl)methyl]-1-N-(3-methoxypropyl)imidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109069113
1-N-(furan-2-ylmethyl)-3-N-(3-methylbutyl)imidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109070128
1-N-butan-2-yl-3-N-(3-methylbutyl)imidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109067690
3-N-[(2-methylphenyl)methyl]-1-N-(2-methylpropyl)imidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109067399
1-N-(2-ethyl-6-methylphenyl)-3-N-(3-methylbutyl)imidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109071322
3-N-[2-(2-fluorophenyl)ethyl]-1-N-(2-methoxyethyl)imidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109068890
3-N-(3-methylbutyl)-1-N,1-N-dipropylimidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109071304
3-N-cyclohexyl-1-N-(3-methylbutyl)imidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109068652
3-N-(2,5-dimethylphenyl)-1-N-(3-methylbutyl)imidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109071259
3-N-(2-fluorophenyl)-1-N-(2-methylpropyl)imidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109067464
1-N-[(2-chlorophenyl)methyl]-3-N-(2-methoxyethyl)imidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109068997

Frequently Asked Questions

What is the IUPAC name of 1-N-[(2-fluorophenyl)methyl]-3-N-(3-methylbutyl)imidazo[1,5-a]pyridine-1,3-dicarboxamide?
The IUPAC name of 1-N-[(2-fluorophenyl)methyl]-3-N-(3-methylbutyl)imidazo[1,5-a]pyridine-1,3-dicarboxamide (CID 109070474) is 1-N-[(2-fluorophenyl)methyl]-3-N-(3-methylbutyl)imidazo[1,5-a]pyridine-1,3-dicarboxamide.
What is the SMILES notation for 1-N-[(2-fluorophenyl)methyl]-3-N-(3-methylbutyl)imidazo[1,5-a]pyridine-1,3-dicarboxamide?
The canonical SMILES for 1-N-[(2-fluorophenyl)methyl]-3-N-(3-methylbutyl)imidazo[1,5-a]pyridine-1,3-dicarboxamide is CC(C)CCNC(=O)c1nc(C(=O)NCc2ccccc2F)c2ccccn12.
What is the InChIKey of 1-N-[(2-fluorophenyl)methyl]-3-N-(3-methylbutyl)imidazo[1,5-a]pyridine-1,3-dicarboxamide?
The InChIKey is VVUWTYZSWDOABO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23FN4O2/c1-14(2)10-11-23-21(28)19-25-18(17-9-5-6-12-26(17)19)20(27)24-13-15-7-3-4-8-16(15)22/h3-9,12,14H,10-11,13H2,1-2H3,(H,23,28)(H,24,27).
What are the key properties of 1-N-[(2-fluorophenyl)methyl]-3-N-(3-methylbutyl)imidazo[1,5-a]pyridine-1,3-dicarboxamide?
1-N-[(2-fluorophenyl)methyl]-3-N-(3-methylbutyl)imidazo[1,5-a]pyridine-1,3-dicarboxamide has a molecular weight of 382.44 g/mol, XLogP of 3.18, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-[(2-fluorophenyl)methyl]-3-N-(3-methylbutyl)imidazo[1,5-a]pyridine-1,3-dicarboxamide is sourced from PubChem (CID 109070474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).