7-amino-3-butanoyl-5-(4-methylphenyl)-2-propylpyrazolo[1,5-a]pyridine-6-carbonitrile

C22H24N4O — CID 110171482

IUPAC7-amino-3-butanoyl-5-(4-methylphenyl)-2-propylpyrazolo[1,5-a]pyridine-6-carbonitrile
SMILESCCCC(=O)c1c(CCC)nn2c(N)c(C#N)c(-c3ccc(C)cc3)cc12
InChIInChI=1S/C22H24N4O/c1-4-6-18-21(20(27)7-5-2)19-12-16(15-10-8-14(3)9-11-15)17(13-23)22(24)26(19)25-18/h8-12H,4-7,24H2,1-3H3
InChIKeyJCYIHBBKRXNYJE-UHFFFAOYSA-N
MW360.46 g/mol
LogP4.70
Rot. Bonds6

About 7-amino-3-butanoyl-5-(4-methylphenyl)-2-propylpyrazolo[1,5-a]pyridine-6-carbonitrile

7-amino-3-butanoyl-5-(4-methylphenyl)-2-propylpyrazolo[1,5-a]pyridine-6-carbonitrile (PubChem CID 110171482) has the molecular formula C22H24N4O and a molecular weight of 360.46 g/mol. Its IUPAC name is 7-amino-3-butanoyl-5-(4-methylphenyl)-2-propylpyrazolo[1,5-a]pyridine-6-carbonitrile.

Molecular Properties

Compound Name7-amino-3-butanoyl-5-(4-methylphenyl)-2-propylpyrazolo[1,5-a]pyridine-6-carbonitrile
PubChem CID110171482
Molecular FormulaC22H24N4O
Molecular Weight360.46 g/mol
Exact Mass360.20
IUPAC Name7-amino-3-butanoyl-5-(4-methylphenyl)-2-propylpyrazolo[1,5-a]pyridine-6-carbonitrile
SMILESCCCC(=O)c1c(CCC)nn2c(N)c(C#N)c(-c3ccc(C)cc3)cc12
InChIInChI=1S/C22H24N4O/c1-4-6-18-21(20(27)7-5-2)19-12-16(15-10-8-14(3)9-11-15)17(13-23)22(24)26(19)25-18/h8-12H,4-7,24H2,1-3H3
InChIKeyJCYIHBBKRXNYJE-UHFFFAOYSA-N
XLogP4.70
TPSA84.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.46
LogP ≤ 54.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 7-amino-3-butanoyl-5-(4-methylphenyl)-2-propylpyrazolo[1,5-a]pyridine-6-carbonitrile?
The IUPAC name of 7-amino-3-butanoyl-5-(4-methylphenyl)-2-propylpyrazolo[1,5-a]pyridine-6-carbonitrile (CID 110171482) is 7-amino-3-butanoyl-5-(4-methylphenyl)-2-propylpyrazolo[1,5-a]pyridine-6-carbonitrile.
What is the SMILES notation for 7-amino-3-butanoyl-5-(4-methylphenyl)-2-propylpyrazolo[1,5-a]pyridine-6-carbonitrile?
The canonical SMILES for 7-amino-3-butanoyl-5-(4-methylphenyl)-2-propylpyrazolo[1,5-a]pyridine-6-carbonitrile is CCCC(=O)c1c(CCC)nn2c(N)c(C#N)c(-c3ccc(C)cc3)cc12.
What is the InChIKey of 7-amino-3-butanoyl-5-(4-methylphenyl)-2-propylpyrazolo[1,5-a]pyridine-6-carbonitrile?
The InChIKey is JCYIHBBKRXNYJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N4O/c1-4-6-18-21(20(27)7-5-2)19-12-16(15-10-8-14(3)9-11-15)17(13-23)22(24)26(19)25-18/h8-12H,4-7,24H2,1-3H3.
What are the key properties of 7-amino-3-butanoyl-5-(4-methylphenyl)-2-propylpyrazolo[1,5-a]pyridine-6-carbonitrile?
7-amino-3-butanoyl-5-(4-methylphenyl)-2-propylpyrazolo[1,5-a]pyridine-6-carbonitrile has a molecular weight of 360.46 g/mol, XLogP of 4.70, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-amino-3-butanoyl-5-(4-methylphenyl)-2-propylpyrazolo[1,5-a]pyridine-6-carbonitrile is sourced from PubChem (CID 110171482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).