(4-benzhydrylpiperazin-1-yl)-pyrazolo[1,5-a]pyridin-3-ylmethanone

C25H24N4O — CID 20875663

IUPAC(4-benzhydrylpiperazin-1-yl)-pyrazolo[1,5-a]pyridin-3-ylmethanone
SMILESO=C(c1cnn2ccccc12)N1CCN(C(c2ccccc2)c2ccccc2)CC1
InChIInChI=1S/C25H24N4O/c30-25(22-19-26-29-14-8-7-13-23(22)29)28-17-15-27(16-18-28)24(20-9-3-1-4-10-20)21-11-5-2-6-12-21/h1-14,19,24H,15-18H2
InChIKeyNCVTWMXBVHZFID-UHFFFAOYSA-N
MW396.49 g/mol
LogP3.88
Rot. Bonds4

About (4-benzhydrylpiperazin-1-yl)-pyrazolo[1,5-a]pyridin-3-ylmethanone

(4-benzhydrylpiperazin-1-yl)-pyrazolo[1,5-a]pyridin-3-ylmethanone (PubChem CID 20875663) has the molecular formula C25H24N4O and a molecular weight of 396.49 g/mol. Its IUPAC name is (4-benzhydrylpiperazin-1-yl)-pyrazolo[1,5-a]pyridin-3-ylmethanone.

Molecular Properties

Compound Name(4-benzhydrylpiperazin-1-yl)-pyrazolo[1,5-a]pyridin-3-ylmethanone
PubChem CID20875663
Molecular FormulaC25H24N4O
Molecular Weight396.49 g/mol
Exact Mass396.20
IUPAC Name(4-benzhydrylpiperazin-1-yl)-pyrazolo[1,5-a]pyridin-3-ylmethanone
SMILESO=C(c1cnn2ccccc12)N1CCN(C(c2ccccc2)c2ccccc2)CC1
InChIInChI=1S/C25H24N4O/c30-25(22-19-26-29-14-8-7-13-23(22)29)28-17-15-27(16-18-28)24(20-9-3-1-4-10-20)21-11-5-2-6-12-21/h1-14,19,24H,15-18H2
InChIKeyNCVTWMXBVHZFID-UHFFFAOYSA-N
XLogP3.88
TPSA40.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.49
LogP ≤ 53.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1,4-diazepan-1-yl(pyrazolo[1,5-a]pyridin-3-yl)methanone;hydrochloride
CID 119414481
1-(pyrazolo[1,5-a]pyridine-3-carbonyl)piperidin-3-one
CID 103118159
(3-hydroxy-3-propan-2-ylazetidin-1-yl)-pyrazolo[1,5-a]pyridin-3-ylmethanone
CID 103120226
(4-benzhydrylpiperazin-1-yl)-(5-phenyl-1H-pyrazol-4-yl)methanone
CID 71824945
(3-hydroxy-3-methylpyrrolidin-1-yl)-pyrazolo[1,5-a]pyridin-3-ylmethanone
CID 103726815
bis(4-benzhydrylpiperazin-1-yl)methanone
CID 17170426
(3-amino-5-methylpiperidin-1-yl)-pyrazolo[1,5-a]pyridin-3-ylmethanone
CID 103120978
(4-benzhydrylpiperazin-1-yl)-(1-phenylpyrazol-4-yl)methanone
CID 9041268
3-[1-(pyrazolo[1,5-a]pyridine-3-carbonyl)pyrrolidin-3-yl]propanoic acid
CID 103117101
[3-(methylamino)pyrrolidin-1-yl]-pyrazolo[1,5-a]pyridin-3-ylmethanone;hydrochloride
CID 119413658
2-(4-benzhydrylpiperazine-1-carbonyl)pyridine-3-carboxylic acid
CID 53270719
(4-benzhydrylpiperazin-1-yl)-(2,4-dichlorophenyl)methanone
CID 1083374

Frequently Asked Questions

What is the IUPAC name of (4-benzhydrylpiperazin-1-yl)-pyrazolo[1,5-a]pyridin-3-ylmethanone?
The IUPAC name of (4-benzhydrylpiperazin-1-yl)-pyrazolo[1,5-a]pyridin-3-ylmethanone (CID 20875663) is (4-benzhydrylpiperazin-1-yl)-pyrazolo[1,5-a]pyridin-3-ylmethanone.
What is the SMILES notation for (4-benzhydrylpiperazin-1-yl)-pyrazolo[1,5-a]pyridin-3-ylmethanone?
The canonical SMILES for (4-benzhydrylpiperazin-1-yl)-pyrazolo[1,5-a]pyridin-3-ylmethanone is O=C(c1cnn2ccccc12)N1CCN(C(c2ccccc2)c2ccccc2)CC1.
What is the InChIKey of (4-benzhydrylpiperazin-1-yl)-pyrazolo[1,5-a]pyridin-3-ylmethanone?
The InChIKey is NCVTWMXBVHZFID-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24N4O/c30-25(22-19-26-29-14-8-7-13-23(22)29)28-17-15-27(16-18-28)24(20-9-3-1-4-10-20)21-11-5-2-6-12-21/h1-14,19,24H,15-18H2.
What are the key properties of (4-benzhydrylpiperazin-1-yl)-pyrazolo[1,5-a]pyridin-3-ylmethanone?
(4-benzhydrylpiperazin-1-yl)-pyrazolo[1,5-a]pyridin-3-ylmethanone has a molecular weight of 396.49 g/mol, XLogP of 3.88, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-benzhydrylpiperazin-1-yl)-pyrazolo[1,5-a]pyridin-3-ylmethanone is sourced from PubChem (CID 20875663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).