2-(6-phenylimidazo[1,5-a]pyridin-5-yl)acetic acid;1-(6-phenylimidazo[1,5-a]pyridin-5-yl)-3-(1H-pyrazol-4-yl)propan-2-one

C34H28N6O3 — CID 161373773

IUPAC2-(6-phenylimidazo[1,5-a]pyridin-5-yl)acetic acid;1-(6-phenylimidazo[1,5-a]pyridin-5-yl)-3-(1H-pyrazol-4-yl)propan-2-one
SMILESO=C(Cc1cn[nH]c1)Cc1c(-c2ccccc2)ccc2cncn12.O=C(O)Cc1c(-c2ccccc2)ccc2cncn12
InChIInChI=1S/C19H16N4O.C15H12N2O2/c24-17(8-14-10-21-22-11-14)9-19-18(15-4-2-1-3-5-15)7-6-16-12-20-13-23(16)19;18-15(19)8-14-13(11-4-2-1-3-5-11)7-6-12-9-16-10-17(12)14/h1-7,10-13H,8-9H2,(H,21,22);1-7,9-10H,8H2,(H,18,19)
InChIKeyVQURQKXWRSSXFS-UHFFFAOYSA-N
MW568.64 g/mol
LogP5.71
Rot. Bonds8

About 2-(6-phenylimidazo[1,5-a]pyridin-5-yl)acetic acid;1-(6-phenylimidazo[1,5-a]pyridin-5-yl)-3-(1H-pyrazol-4-yl)propan-2-one

2-(6-phenylimidazo[1,5-a]pyridin-5-yl)acetic acid;1-(6-phenylimidazo[1,5-a]pyridin-5-yl)-3-(1H-pyrazol-4-yl)propan-2-one (PubChem CID 161373773) has the molecular formula C34H28N6O3 and a molecular weight of 568.64 g/mol. Its IUPAC name is 2-(6-phenylimidazo[1,5-a]pyridin-5-yl)acetic acid;1-(6-phenylimidazo[1,5-a]pyridin-5-yl)-3-(1H-pyrazol-4-yl)propan-2-one.

Molecular Properties

Compound Name2-(6-phenylimidazo[1,5-a]pyridin-5-yl)acetic acid;1-(6-phenylimidazo[1,5-a]pyridin-5-yl)-3-(1H-pyrazol-4-yl)propan-2-one
PubChem CID161373773
Molecular FormulaC34H28N6O3
Molecular Weight568.64 g/mol
Exact Mass568.22
IUPAC Name2-(6-phenylimidazo[1,5-a]pyridin-5-yl)acetic acid;1-(6-phenylimidazo[1,5-a]pyridin-5-yl)-3-(1H-pyrazol-4-yl)propan-2-one
SMILESO=C(Cc1cn[nH]c1)Cc1c(-c2ccccc2)ccc2cncn12.O=C(O)Cc1c(-c2ccccc2)ccc2cncn12
InChIInChI=1S/C19H16N4O.C15H12N2O2/c24-17(8-14-10-21-22-11-14)9-19-18(15-4-2-1-3-5-15)7-6-16-12-20-13-23(16)19;18-15(19)8-14-13(11-4-2-1-3-5-11)7-6-12-9-16-10-17(12)14/h1-7,10-13H,8-9H2,(H,21,22);1-7,9-10H,8H2,(H,18,19)
InChIKeyVQURQKXWRSSXFS-UHFFFAOYSA-N
XLogP5.71
TPSA117.65 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500568.64
LogP ≤ 55.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 2-(6-phenylimidazo[1,5-a]pyridin-5-yl)acetic acid;1-(6-phenylimidazo[1,5-a]pyridin-5-yl)-3-(1H-pyrazol-4-yl)propan-2-one with MolForge

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Related Compounds

2-(6-phenylimidazo[1,5-a]pyridin-5-yl)-N-[4-(1H-pyrazol-4-yl)phenyl]acetamide
CID 134298639
(3R)-1-(1-ethylpyrazol-4-yl)-3-[5-(5-fluoro-2-pyridinyl)-1H-imidazol-2-yl]-2,3,4,9-tetrahydropyrido[3,4-b]indole-1-carboxylic acid
CID 68480181
(1S,2S,3S,4R)-3-[[2-(5-fluoro-2H-pyrazolo[3,4-b]pyridin-3-yl)pyrrolo[2,1-f][1,2,4]triazin-4-yl]amino]bicyclo[2.2.2]oct-5-ene-2-carboxylic acid
CID 151806895
(2S,3S)-3-[[2-(5-fluoro-2H-pyrazolo[3,4-b]pyridin-3-yl)pyrrolo[2,1-f][1,2,4]triazin-4-yl]amino]bicyclo[2.2.2]octane-2-carboxylic acid
CID 152430796
(2S,3S)-3-[[5-fluoro-2-(2H-pyrazolo[3,4-b]pyridin-3-yl)pyrrolo[2,1-f][1,2,4]triazin-4-yl]amino]bicyclo[2.2.2]octane-2-carboxylic acid
CID 154956402
3-[[2-(5-fluoro-2H-pyrazolo[3,4-b]pyridin-3-yl)pyrrolo[2,1-f][1,2,4]triazin-4-yl]amino]bicyclo[2.2.2]octane-2-carboxylic acid
CID 175757595
3-[[5-fluoro-2-(2H-pyrazolo[3,4-b]pyridin-3-yl)pyrrolo[2,1-f][1,2,4]triazin-4-yl]amino]bicyclo[2.2.2]octane-2-carboxylic acid
CID 175757605
3-[[2-(5-fluoro-2H-pyrazolo[3,4-b]pyridin-3-yl)pyrrolo[2,1-f][1,2,4]triazin-4-yl]amino]bicyclo[2.2.2]oct-5-ene-2-carboxylic acid
CID 175757658
4-[4-(3-pyridin-2-ylimidazo[1,2-a]pyridin-6-yl)-1H-pyrazol-5-yl]benzoic acid
CID 23537474
methyl 2-[8-phenyl-6-(1H-pyrazol-4-yl)imidazo[1,2-a]pyridin-2-yl]acetate
CID 58207890
1-phenyl-3-[5-[[5-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]amino]-2-pyridinyl]propan-2-one
CID 58228802
3-[4-[5-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]triazol-1-yl]-3-phenylpropanoic acid
CID 66778700

Frequently Asked Questions

What is the IUPAC name of 2-(6-phenylimidazo[1,5-a]pyridin-5-yl)acetic acid;1-(6-phenylimidazo[1,5-a]pyridin-5-yl)-3-(1H-pyrazol-4-yl)propan-2-one?
The IUPAC name of 2-(6-phenylimidazo[1,5-a]pyridin-5-yl)acetic acid;1-(6-phenylimidazo[1,5-a]pyridin-5-yl)-3-(1H-pyrazol-4-yl)propan-2-one (CID 161373773) is 2-(6-phenylimidazo[1,5-a]pyridin-5-yl)acetic acid;1-(6-phenylimidazo[1,5-a]pyridin-5-yl)-3-(1H-pyrazol-4-yl)propan-2-one.
What is the SMILES notation for 2-(6-phenylimidazo[1,5-a]pyridin-5-yl)acetic acid;1-(6-phenylimidazo[1,5-a]pyridin-5-yl)-3-(1H-pyrazol-4-yl)propan-2-one?
The canonical SMILES for 2-(6-phenylimidazo[1,5-a]pyridin-5-yl)acetic acid;1-(6-phenylimidazo[1,5-a]pyridin-5-yl)-3-(1H-pyrazol-4-yl)propan-2-one is O=C(Cc1cn[nH]c1)Cc1c(-c2ccccc2)ccc2cncn12.O=C(O)Cc1c(-c2ccccc2)ccc2cncn12.
What is the InChIKey of 2-(6-phenylimidazo[1,5-a]pyridin-5-yl)acetic acid;1-(6-phenylimidazo[1,5-a]pyridin-5-yl)-3-(1H-pyrazol-4-yl)propan-2-one?
The InChIKey is VQURQKXWRSSXFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N4O.C15H12N2O2/c24-17(8-14-10-21-22-11-14)9-19-18(15-4-2-1-3-5-15)7-6-16-12-20-13-23(16)19;18-15(19)8-14-13(11-4-2-1-3-5-11)7-6-12-9-16-10-17(12)14/h1-7,10-13H,8-9H2,(H,21,22);1-7,9-10H,8H2,(H,18,19).
What are the key properties of 2-(6-phenylimidazo[1,5-a]pyridin-5-yl)acetic acid;1-(6-phenylimidazo[1,5-a]pyridin-5-yl)-3-(1H-pyrazol-4-yl)propan-2-one?
2-(6-phenylimidazo[1,5-a]pyridin-5-yl)acetic acid;1-(6-phenylimidazo[1,5-a]pyridin-5-yl)-3-(1H-pyrazol-4-yl)propan-2-one has a molecular weight of 568.64 g/mol, XLogP of 5.71, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-phenylimidazo[1,5-a]pyridin-5-yl)acetic acid;1-(6-phenylimidazo[1,5-a]pyridin-5-yl)-3-(1H-pyrazol-4-yl)propan-2-one is sourced from PubChem (CID 161373773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).