3-[4-(pyrazolo[1,5-a]pyridin-2-ylmethyl)piperazine-1-carbonyl]benzonitrile

C20H19N5O — CID 90571532

IUPAC3-[4-(pyrazolo[1,5-a]pyridin-2-ylmethyl)piperazine-1-carbonyl]benzonitrile
SMILESN#Cc1cccc(C(=O)N2CCN(Cc3cc4ccccn4n3)CC2)c1
InChIInChI=1S/C20H19N5O/c21-14-16-4-3-5-17(12-16)20(26)24-10-8-23(9-11-24)15-18-13-19-6-1-2-7-25(19)22-18/h1-7,12-13H,8-11,15H2
InChIKeyAYSNSLOLNKVZCF-UHFFFAOYSA-N
MW345.41 g/mol
LogP2.16
Rot. Bonds3

About 3-[4-(pyrazolo[1,5-a]pyridin-2-ylmethyl)piperazine-1-carbonyl]benzonitrile

3-[4-(pyrazolo[1,5-a]pyridin-2-ylmethyl)piperazine-1-carbonyl]benzonitrile (PubChem CID 90571532) has the molecular formula C20H19N5O and a molecular weight of 345.41 g/mol. Its IUPAC name is 3-[4-(pyrazolo[1,5-a]pyridin-2-ylmethyl)piperazine-1-carbonyl]benzonitrile.

Molecular Properties

Compound Name3-[4-(pyrazolo[1,5-a]pyridin-2-ylmethyl)piperazine-1-carbonyl]benzonitrile
PubChem CID90571532
Molecular FormulaC20H19N5O
Molecular Weight345.41 g/mol
Exact Mass345.16
IUPAC Name3-[4-(pyrazolo[1,5-a]pyridin-2-ylmethyl)piperazine-1-carbonyl]benzonitrile
SMILESN#Cc1cccc(C(=O)N2CCN(Cc3cc4ccccn4n3)CC2)c1
InChIInChI=1S/C20H19N5O/c21-14-16-4-3-5-17(12-16)20(26)24-10-8-23(9-11-24)15-18-13-19-6-1-2-7-25(19)22-18/h1-7,12-13H,8-11,15H2
InChIKeyAYSNSLOLNKVZCF-UHFFFAOYSA-N
XLogP2.16
TPSA64.64 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.41
LogP ≤ 52.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(3-methoxyphenyl)-[4-(pyrazolo[1,5-a]pyridin-2-ylmethyl)piperazin-1-yl]methanone
CID 90571382
[4-(pyrazolo[1,5-a]pyridin-2-ylmethyl)piperazin-1-yl]-[3-(trifluoromethyl)phenyl]methanone
CID 90571422
(4-chloro-3-nitrophenyl)-[4-(pyrazolo[1,5-a]pyridin-2-ylmethyl)piperazin-1-yl]methanone
CID 90571420
3-(4-ethylpiperazine-1-carbonyl)benzonitrile
CID 24705245
[4-(pyrazolo[1,5-a]pyridin-2-ylmethyl)piperazin-1-yl]-quinolin-2-ylmethanone
CID 90571337
(2-chloro-4-fluorophenyl)-[4-(pyrazolo[1,5-a]pyridin-2-ylmethyl)piperazin-1-yl]methanone
CID 90571504
3-(4-hydroxypiperidine-1-carbonyl)benzonitrile
CID 24690177
3-[4-(2-hydroxy-2-methylpropyl)piperazine-1-carbonyl]benzonitrile
CID 63656587
3-[4-[2-(2-phenylimidazol-1-yl)ethyl]piperazine-1-carbonyl]benzonitrile
CID 90560720
2-(4-ethoxyphenoxy)-1-[4-(pyrazolo[1,5-a]pyridin-2-ylmethyl)piperazin-1-yl]ethanone
CID 90571442
3-[4-(2-chloroethyl)-1,4-diazepane-1-carbonyl]benzonitrile
CID 63394832
3-[4-(2-hydroxyethyl)-1,4-diazepane-1-carbonyl]benzonitrile
CID 63308703

Frequently Asked Questions

What is the IUPAC name of 3-[4-(pyrazolo[1,5-a]pyridin-2-ylmethyl)piperazine-1-carbonyl]benzonitrile?
The IUPAC name of 3-[4-(pyrazolo[1,5-a]pyridin-2-ylmethyl)piperazine-1-carbonyl]benzonitrile (CID 90571532) is 3-[4-(pyrazolo[1,5-a]pyridin-2-ylmethyl)piperazine-1-carbonyl]benzonitrile.
What is the SMILES notation for 3-[4-(pyrazolo[1,5-a]pyridin-2-ylmethyl)piperazine-1-carbonyl]benzonitrile?
The canonical SMILES for 3-[4-(pyrazolo[1,5-a]pyridin-2-ylmethyl)piperazine-1-carbonyl]benzonitrile is N#Cc1cccc(C(=O)N2CCN(Cc3cc4ccccn4n3)CC2)c1.
What is the InChIKey of 3-[4-(pyrazolo[1,5-a]pyridin-2-ylmethyl)piperazine-1-carbonyl]benzonitrile?
The InChIKey is AYSNSLOLNKVZCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N5O/c21-14-16-4-3-5-17(12-16)20(26)24-10-8-23(9-11-24)15-18-13-19-6-1-2-7-25(19)22-18/h1-7,12-13H,8-11,15H2.
What are the key properties of 3-[4-(pyrazolo[1,5-a]pyridin-2-ylmethyl)piperazine-1-carbonyl]benzonitrile?
3-[4-(pyrazolo[1,5-a]pyridin-2-ylmethyl)piperazine-1-carbonyl]benzonitrile has a molecular weight of 345.41 g/mol, XLogP of 2.16, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(pyrazolo[1,5-a]pyridin-2-ylmethyl)piperazine-1-carbonyl]benzonitrile is sourced from PubChem (CID 90571532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).