7-amino-3-butanoyl-5-naphthalen-1-yl-2-propylpyrazolo[1,5-a]pyridine-6-carbonitrile

C25H24N4O — CID 110171484

IUPAC7-amino-3-butanoyl-5-naphthalen-1-yl-2-propylpyrazolo[1,5-a]pyridine-6-carbonitrile
SMILESCCCC(=O)c1c(CCC)nn2c(N)c(C#N)c(-c3cccc4ccccc34)cc12
InChIInChI=1S/C25H24N4O/c1-3-8-21-24(23(30)9-4-2)22-14-19(20(15-26)25(27)29(22)28-21)18-13-7-11-16-10-5-6-12-17(16)18/h5-7,10-14H,3-4,8-9,27H2,1-2H3
InChIKeySYWMRFNJCJQBSH-UHFFFAOYSA-N
MW396.49 g/mol
LogP5.54
Rot. Bonds6

About 7-amino-3-butanoyl-5-naphthalen-1-yl-2-propylpyrazolo[1,5-a]pyridine-6-carbonitrile

7-amino-3-butanoyl-5-naphthalen-1-yl-2-propylpyrazolo[1,5-a]pyridine-6-carbonitrile (PubChem CID 110171484) has the molecular formula C25H24N4O and a molecular weight of 396.49 g/mol. Its IUPAC name is 7-amino-3-butanoyl-5-naphthalen-1-yl-2-propylpyrazolo[1,5-a]pyridine-6-carbonitrile.

Molecular Properties

Compound Name7-amino-3-butanoyl-5-naphthalen-1-yl-2-propylpyrazolo[1,5-a]pyridine-6-carbonitrile
PubChem CID110171484
Molecular FormulaC25H24N4O
Molecular Weight396.49 g/mol
Exact Mass396.20
IUPAC Name7-amino-3-butanoyl-5-naphthalen-1-yl-2-propylpyrazolo[1,5-a]pyridine-6-carbonitrile
SMILESCCCC(=O)c1c(CCC)nn2c(N)c(C#N)c(-c3cccc4ccccc34)cc12
InChIInChI=1S/C25H24N4O/c1-3-8-21-24(23(30)9-4-2)22-14-19(20(15-26)25(27)29(22)28-21)18-13-7-11-16-10-5-6-12-17(16)18/h5-7,10-14H,3-4,8-9,27H2,1-2H3
InChIKeySYWMRFNJCJQBSH-UHFFFAOYSA-N
XLogP5.54
TPSA84.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500396.49
LogP ≤ 55.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

7-amino-3-butanoyl-5-(4-methylphenyl)-2-propylpyrazolo[1,5-a]pyridine-6-carbonitrile
CID 110171482
6-amino-2-naphthalen-1-ylpyrimidine-4-carbonitrile
CID 116862729
5-amino-3-butyl-1-(naphthalen-1-ylmethyl)pyrazole-4-carbonitrile
CID 100766456
5-amino-3-(naphthalen-1-ylmethyl)-1-propylpyrazole-4-carbonitrile
CID 100762155
2-amino-5-butylpyrazolo[5,1-a]isoquinoline-1-carbonitrile
CID 139190722
2-methoxy-4-naphthalen-1-yl-6-phenylpyridine-3-carbonitrile
CID 14066095
ethyl 7-ethyl-8-naphthalen-1-yl-4-propylpyrazolo[5,1-c][1,2,4]triazine-3-carboxylate
CID 17228419
2-amino-5-ethyl-4-(2-methylphenyl)-6-propylpyridine-3-carbonitrile
CID 4634977
2-methyl-4-naphthalen-1-yl-6-thiophen-2-ylpyridine-3-carbonitrile
CID 15133262
methylidenezirconium(2+);bis(1-(2-propyl-1H-inden-1-id-4-yl)naphthalene)
CID 140577424
1-methyl-3-naphthalen-1-ylpyrazol-5-amine
CID 43158903
2-[(2-methyl-5-naphthalen-1-yl-1,2,4-triazol-3-yl)sulfanyl]acetic acid
CID 104602479

Frequently Asked Questions

What is the IUPAC name of 7-amino-3-butanoyl-5-naphthalen-1-yl-2-propylpyrazolo[1,5-a]pyridine-6-carbonitrile?
The IUPAC name of 7-amino-3-butanoyl-5-naphthalen-1-yl-2-propylpyrazolo[1,5-a]pyridine-6-carbonitrile (CID 110171484) is 7-amino-3-butanoyl-5-naphthalen-1-yl-2-propylpyrazolo[1,5-a]pyridine-6-carbonitrile.
What is the SMILES notation for 7-amino-3-butanoyl-5-naphthalen-1-yl-2-propylpyrazolo[1,5-a]pyridine-6-carbonitrile?
The canonical SMILES for 7-amino-3-butanoyl-5-naphthalen-1-yl-2-propylpyrazolo[1,5-a]pyridine-6-carbonitrile is CCCC(=O)c1c(CCC)nn2c(N)c(C#N)c(-c3cccc4ccccc34)cc12.
What is the InChIKey of 7-amino-3-butanoyl-5-naphthalen-1-yl-2-propylpyrazolo[1,5-a]pyridine-6-carbonitrile?
The InChIKey is SYWMRFNJCJQBSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24N4O/c1-3-8-21-24(23(30)9-4-2)22-14-19(20(15-26)25(27)29(22)28-21)18-13-7-11-16-10-5-6-12-17(16)18/h5-7,10-14H,3-4,8-9,27H2,1-2H3.
What are the key properties of 7-amino-3-butanoyl-5-naphthalen-1-yl-2-propylpyrazolo[1,5-a]pyridine-6-carbonitrile?
7-amino-3-butanoyl-5-naphthalen-1-yl-2-propylpyrazolo[1,5-a]pyridine-6-carbonitrile has a molecular weight of 396.49 g/mol, XLogP of 5.54, 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-naphthalen-1-yl-2-propylpyrazolo[1,5-a]pyridine-6-carbonitrile is sourced from PubChem (CID 110171484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).