4-[3-[4-[1-(3-cyanopropyl)pyrazol-4-yl]phenyl]pyrazolo[1,5-a]pyridin-4-yl]-2,2-dimethylbut-3-ynamide

C26H24N6O — CID 135250361

IUPAC4-[3-[4-[1-(3-cyanopropyl)pyrazol-4-yl]phenyl]pyrazolo[1,5-a]pyridin-4-yl]-2,2-dimethylbut-3-ynamide
SMILESCC(C)(C#Cc1cccn2ncc(-c3ccc(-c4cnn(CCCC#N)c4)cc3)c12)C(N)=O
InChIInChI=1S/C26H24N6O/c1-26(2,25(28)33)12-11-21-6-5-15-32-24(21)23(17-30-32)20-9-7-19(8-10-20)22-16-29-31(18-22)14-4-3-13-27/h5-10,15-18H,3-4,14H2,1-2H3,(H2,28,33)
InChIKeyYKTRMYNAROZKRJ-UHFFFAOYSA-N
MW436.52 g/mol
LogP4.03
Rot. Bonds6

About 4-[3-[4-[1-(3-cyanopropyl)pyrazol-4-yl]phenyl]pyrazolo[1,5-a]pyridin-4-yl]-2,2-dimethylbut-3-ynamide

4-[3-[4-[1-(3-cyanopropyl)pyrazol-4-yl]phenyl]pyrazolo[1,5-a]pyridin-4-yl]-2,2-dimethylbut-3-ynamide (PubChem CID 135250361) has the molecular formula C26H24N6O and a molecular weight of 436.52 g/mol. Its IUPAC name is 4-[3-[4-[1-(3-cyanopropyl)pyrazol-4-yl]phenyl]pyrazolo[1,5-a]pyridin-4-yl]-2,2-dimethylbut-3-ynamide.

Molecular Properties

Compound Name4-[3-[4-[1-(3-cyanopropyl)pyrazol-4-yl]phenyl]pyrazolo[1,5-a]pyridin-4-yl]-2,2-dimethylbut-3-ynamide
PubChem CID135250361
Molecular FormulaC26H24N6O
Molecular Weight436.52 g/mol
Exact Mass436.20
IUPAC Name4-[3-[4-[1-(3-cyanopropyl)pyrazol-4-yl]phenyl]pyrazolo[1,5-a]pyridin-4-yl]-2,2-dimethylbut-3-ynamide
SMILESCC(C)(C#Cc1cccn2ncc(-c3ccc(-c4cnn(CCCC#N)c4)cc3)c12)C(N)=O
InChIInChI=1S/C26H24N6O/c1-26(2,25(28)33)12-11-21-6-5-15-32-24(21)23(17-30-32)20-9-7-19(8-10-20)22-16-29-31(18-22)14-4-3-13-27/h5-10,15-18H,3-4,14H2,1-2H3,(H2,28,33)
InChIKeyYKTRMYNAROZKRJ-UHFFFAOYSA-N
XLogP4.03
TPSA102.00 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.52
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-[3-[4-[1-(3-cyanopropyl)pyrazol-4-yl]phenyl]pyrazolo[1,5-a]pyridin-4-yl]-2,2-dimethylbut-3-ynamide?
The IUPAC name of 4-[3-[4-[1-(3-cyanopropyl)pyrazol-4-yl]phenyl]pyrazolo[1,5-a]pyridin-4-yl]-2,2-dimethylbut-3-ynamide (CID 135250361) is 4-[3-[4-[1-(3-cyanopropyl)pyrazol-4-yl]phenyl]pyrazolo[1,5-a]pyridin-4-yl]-2,2-dimethylbut-3-ynamide.
What is the SMILES notation for 4-[3-[4-[1-(3-cyanopropyl)pyrazol-4-yl]phenyl]pyrazolo[1,5-a]pyridin-4-yl]-2,2-dimethylbut-3-ynamide?
The canonical SMILES for 4-[3-[4-[1-(3-cyanopropyl)pyrazol-4-yl]phenyl]pyrazolo[1,5-a]pyridin-4-yl]-2,2-dimethylbut-3-ynamide is CC(C)(C#Cc1cccn2ncc(-c3ccc(-c4cnn(CCCC#N)c4)cc3)c12)C(N)=O.
What is the InChIKey of 4-[3-[4-[1-(3-cyanopropyl)pyrazol-4-yl]phenyl]pyrazolo[1,5-a]pyridin-4-yl]-2,2-dimethylbut-3-ynamide?
The InChIKey is YKTRMYNAROZKRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24N6O/c1-26(2,25(28)33)12-11-21-6-5-15-32-24(21)23(17-30-32)20-9-7-19(8-10-20)22-16-29-31(18-22)14-4-3-13-27/h5-10,15-18H,3-4,14H2,1-2H3,(H2,28,33).
What are the key properties of 4-[3-[4-[1-(3-cyanopropyl)pyrazol-4-yl]phenyl]pyrazolo[1,5-a]pyridin-4-yl]-2,2-dimethylbut-3-ynamide?
4-[3-[4-[1-(3-cyanopropyl)pyrazol-4-yl]phenyl]pyrazolo[1,5-a]pyridin-4-yl]-2,2-dimethylbut-3-ynamide has a molecular weight of 436.52 g/mol, XLogP of 4.03, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-[4-[1-(3-cyanopropyl)pyrazol-4-yl]phenyl]pyrazolo[1,5-a]pyridin-4-yl]-2,2-dimethylbut-3-ynamide is sourced from PubChem (CID 135250361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).