1-[5-(3-imidazo[1,5-a]pyridin-3-yl-3,4-dihydropyrazol-2-yl)-2-methylidene-5-oxopentyl]indazole-5-carbonitrile

C24H21N7O — CID 156714914

IUPAC1-[5-(3-imidazo[1,5-a]pyridin-3-yl-3,4-dihydropyrazol-2-yl)-2-methylidene-5-oxopentyl]indazole-5-carbonitrile
SMILESC=C(CCC(=O)N1N=CCC1c1ncc2ccccn12)Cn1ncc2cc(C#N)ccc21
InChIInChI=1S/C24H21N7O/c1-17(16-30-21-7-6-18(13-25)12-19(21)14-28-30)5-8-23(32)31-22(9-10-27-31)24-26-15-20-4-2-3-11-29(20)24/h2-4,6-7,10-12,14-15,22H,1,5,8-9,16H2
InChIKeyJEECDFDSYGLDTO-UHFFFAOYSA-N
MW423.48 g/mol
LogP3.85
Rot. Bonds6

About 1-[5-(3-imidazo[1,5-a]pyridin-3-yl-3,4-dihydropyrazol-2-yl)-2-methylidene-5-oxopentyl]indazole-5-carbonitrile

1-[5-(3-imidazo[1,5-a]pyridin-3-yl-3,4-dihydropyrazol-2-yl)-2-methylidene-5-oxopentyl]indazole-5-carbonitrile (PubChem CID 156714914) has the molecular formula C24H21N7O and a molecular weight of 423.48 g/mol. Its IUPAC name is 1-[5-(3-imidazo[1,5-a]pyridin-3-yl-3,4-dihydropyrazol-2-yl)-2-methylidene-5-oxopentyl]indazole-5-carbonitrile.

Molecular Properties

Compound Name1-[5-(3-imidazo[1,5-a]pyridin-3-yl-3,4-dihydropyrazol-2-yl)-2-methylidene-5-oxopentyl]indazole-5-carbonitrile
PubChem CID156714914
Molecular FormulaC24H21N7O
Molecular Weight423.48 g/mol
Exact Mass423.18
IUPAC Name1-[5-(3-imidazo[1,5-a]pyridin-3-yl-3,4-dihydropyrazol-2-yl)-2-methylidene-5-oxopentyl]indazole-5-carbonitrile
SMILESC=C(CCC(=O)N1N=CCC1c1ncc2ccccn12)Cn1ncc2cc(C#N)ccc21
InChIInChI=1S/C24H21N7O/c1-17(16-30-21-7-6-18(13-25)12-19(21)14-28-30)5-8-23(32)31-22(9-10-27-31)24-26-15-20-4-2-3-11-29(20)24/h2-4,6-7,10-12,14-15,22H,1,5,8-9,16H2
InChIKeyJEECDFDSYGLDTO-UHFFFAOYSA-N
XLogP3.85
TPSA91.58 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.48
LogP ≤ 53.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[5-(3-imidazo[1,5-a]pyridin-3-yl-3,4-dihydropyrazol-2-yl)-2-methylidene-5-oxopentyl]indazole-5-carbonitrile?
The IUPAC name of 1-[5-(3-imidazo[1,5-a]pyridin-3-yl-3,4-dihydropyrazol-2-yl)-2-methylidene-5-oxopentyl]indazole-5-carbonitrile (CID 156714914) is 1-[5-(3-imidazo[1,5-a]pyridin-3-yl-3,4-dihydropyrazol-2-yl)-2-methylidene-5-oxopentyl]indazole-5-carbonitrile.
What is the SMILES notation for 1-[5-(3-imidazo[1,5-a]pyridin-3-yl-3,4-dihydropyrazol-2-yl)-2-methylidene-5-oxopentyl]indazole-5-carbonitrile?
The canonical SMILES for 1-[5-(3-imidazo[1,5-a]pyridin-3-yl-3,4-dihydropyrazol-2-yl)-2-methylidene-5-oxopentyl]indazole-5-carbonitrile is C=C(CCC(=O)N1N=CCC1c1ncc2ccccn12)Cn1ncc2cc(C#N)ccc21.
What is the InChIKey of 1-[5-(3-imidazo[1,5-a]pyridin-3-yl-3,4-dihydropyrazol-2-yl)-2-methylidene-5-oxopentyl]indazole-5-carbonitrile?
The InChIKey is JEECDFDSYGLDTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21N7O/c1-17(16-30-21-7-6-18(13-25)12-19(21)14-28-30)5-8-23(32)31-22(9-10-27-31)24-26-15-20-4-2-3-11-29(20)24/h2-4,6-7,10-12,14-15,22H,1,5,8-9,16H2.
What are the key properties of 1-[5-(3-imidazo[1,5-a]pyridin-3-yl-3,4-dihydropyrazol-2-yl)-2-methylidene-5-oxopentyl]indazole-5-carbonitrile?
1-[5-(3-imidazo[1,5-a]pyridin-3-yl-3,4-dihydropyrazol-2-yl)-2-methylidene-5-oxopentyl]indazole-5-carbonitrile has a molecular weight of 423.48 g/mol, XLogP of 3.85, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(3-imidazo[1,5-a]pyridin-3-yl-3,4-dihydropyrazol-2-yl)-2-methylidene-5-oxopentyl]indazole-5-carbonitrile is sourced from PubChem (CID 156714914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).