3-N-(2-fluorophenyl)-1-N-(pyridin-4-ylmethyl)imidazo[1,5-a]pyridine-1,3-dicarboxamide

C21H16FN5O2 — CID 109070735

IUPAC3-N-(2-fluorophenyl)-1-N-(pyridin-4-ylmethyl)imidazo[1,5-a]pyridine-1,3-dicarboxamide
SMILESO=C(NCc1ccncc1)c1nc(C(=O)Nc2ccccc2F)n2ccccc12
InChIInChI=1S/C21H16FN5O2/c22-15-5-1-2-6-16(15)25-21(29)19-26-18(17-7-3-4-12-27(17)19)20(28)24-13-14-8-10-23-11-9-14/h1-12H,13H2,(H,24,28)(H,25,29)
InChIKeyWHBVTXCIIAWENP-UHFFFAOYSA-N
MW389.39 g/mol
LogP3.05
Rot. Bonds5

About 3-N-(2-fluorophenyl)-1-N-(pyridin-4-ylmethyl)imidazo[1,5-a]pyridine-1,3-dicarboxamide

3-N-(2-fluorophenyl)-1-N-(pyridin-4-ylmethyl)imidazo[1,5-a]pyridine-1,3-dicarboxamide (PubChem CID 109070735) has the molecular formula C21H16FN5O2 and a molecular weight of 389.39 g/mol. Its IUPAC name is 3-N-(2-fluorophenyl)-1-N-(pyridin-4-ylmethyl)imidazo[1,5-a]pyridine-1,3-dicarboxamide.

Molecular Properties

Compound Name3-N-(2-fluorophenyl)-1-N-(pyridin-4-ylmethyl)imidazo[1,5-a]pyridine-1,3-dicarboxamide
PubChem CID109070735
Molecular FormulaC21H16FN5O2
Molecular Weight389.39 g/mol
Exact Mass389.13
IUPAC Name3-N-(2-fluorophenyl)-1-N-(pyridin-4-ylmethyl)imidazo[1,5-a]pyridine-1,3-dicarboxamide
SMILESO=C(NCc1ccncc1)c1nc(C(=O)Nc2ccccc2F)n2ccccc12
InChIInChI=1S/C21H16FN5O2/c22-15-5-1-2-6-16(15)25-21(29)19-26-18(17-7-3-4-12-27(17)19)20(28)24-13-14-8-10-23-11-9-14/h1-12H,13H2,(H,24,28)(H,25,29)
InChIKeyWHBVTXCIIAWENP-UHFFFAOYSA-N
XLogP3.05
TPSA88.39 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.39
LogP ≤ 53.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-N-(2-fluorophenyl)-3-N-(pyridin-3-ylmethyl)imidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109070701
3-N-(2-fluorophenyl)-1-N-(pyridin-2-ylmethyl)imidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109070597
3-N-(2-fluorophenyl)-1-N-(2-methylpropyl)imidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109067464
3-N-(4-methylphenyl)-1-N-(pyridin-4-ylmethyl)imidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109070723
3-N-[(4-methylphenyl)methyl]-1-N-(pyridin-4-ylmethyl)imidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109070389
1-N-prop-2-enyl-3-N-(pyridin-4-ylmethyl)imidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109066836
3-N-(2-fluorophenyl)-1-N-(4-fluorophenyl)imidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109072044
3-N-[(2-methylphenyl)methyl]-1-N-(pyridin-4-ylmethyl)imidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109070321
1-N-benzyl-3-N-phenylimidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109070239
3-N-benzyl-1-N-(2-ethylphenyl)imidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109070292
3-N-benzyl-1-N-(pyridin-3-ylmethyl)imidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109070267
3-N-(2-fluorophenyl)-1-N-(5-methyl-1,2-oxazol-3-yl)imidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109072049

Frequently Asked Questions

What is the IUPAC name of 3-N-(2-fluorophenyl)-1-N-(pyridin-4-ylmethyl)imidazo[1,5-a]pyridine-1,3-dicarboxamide?
The IUPAC name of 3-N-(2-fluorophenyl)-1-N-(pyridin-4-ylmethyl)imidazo[1,5-a]pyridine-1,3-dicarboxamide (CID 109070735) is 3-N-(2-fluorophenyl)-1-N-(pyridin-4-ylmethyl)imidazo[1,5-a]pyridine-1,3-dicarboxamide.
What is the SMILES notation for 3-N-(2-fluorophenyl)-1-N-(pyridin-4-ylmethyl)imidazo[1,5-a]pyridine-1,3-dicarboxamide?
The canonical SMILES for 3-N-(2-fluorophenyl)-1-N-(pyridin-4-ylmethyl)imidazo[1,5-a]pyridine-1,3-dicarboxamide is O=C(NCc1ccncc1)c1nc(C(=O)Nc2ccccc2F)n2ccccc12.
What is the InChIKey of 3-N-(2-fluorophenyl)-1-N-(pyridin-4-ylmethyl)imidazo[1,5-a]pyridine-1,3-dicarboxamide?
The InChIKey is WHBVTXCIIAWENP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16FN5O2/c22-15-5-1-2-6-16(15)25-21(29)19-26-18(17-7-3-4-12-27(17)19)20(28)24-13-14-8-10-23-11-9-14/h1-12H,13H2,(H,24,28)(H,25,29).
What are the key properties of 3-N-(2-fluorophenyl)-1-N-(pyridin-4-ylmethyl)imidazo[1,5-a]pyridine-1,3-dicarboxamide?
3-N-(2-fluorophenyl)-1-N-(pyridin-4-ylmethyl)imidazo[1,5-a]pyridine-1,3-dicarboxamide has a molecular weight of 389.39 g/mol, XLogP of 3.05, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-(2-fluorophenyl)-1-N-(pyridin-4-ylmethyl)imidazo[1,5-a]pyridine-1,3-dicarboxamide is sourced from PubChem (CID 109070735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).