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

C24H22N6O2 — CID 135260470

IUPAC4-[3-[4-[1-(2-amino-2-oxoethyl)pyrazol-4-yl]phenyl]pyrazolo[1,5-a]pyridin-4-yl]-2,2-dimethylbut-3-ynamide
SMILESCC(C)(C#Cc1cccn2ncc(-c3ccc(-c4cnn(CC(N)=O)c4)cc3)c12)C(N)=O
InChIInChI=1S/C24H22N6O2/c1-24(2,23(26)32)10-9-18-4-3-11-30-22(18)20(13-28-30)17-7-5-16(6-8-17)19-12-27-29(14-19)15-21(25)31/h3-8,11-14H,15H2,1-2H3,(H2,25,31)(H2,26,32)
InChIKeyLZFSECBGHFAQQJ-UHFFFAOYSA-N
MW426.48 g/mol
LogP2.21
Rot. Bonds5

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

4-[3-[4-[1-(2-amino-2-oxoethyl)pyrazol-4-yl]phenyl]pyrazolo[1,5-a]pyridin-4-yl]-2,2-dimethylbut-3-ynamide (PubChem CID 135260470) has the molecular formula C24H22N6O2 and a molecular weight of 426.48 g/mol. Its IUPAC name is 4-[3-[4-[1-(2-amino-2-oxoethyl)pyrazol-4-yl]phenyl]pyrazolo[1,5-a]pyridin-4-yl]-2,2-dimethylbut-3-ynamide.

Molecular Properties

Compound Name4-[3-[4-[1-(2-amino-2-oxoethyl)pyrazol-4-yl]phenyl]pyrazolo[1,5-a]pyridin-4-yl]-2,2-dimethylbut-3-ynamide
PubChem CID135260470
Molecular FormulaC24H22N6O2
Molecular Weight426.48 g/mol
Exact Mass426.18
IUPAC Name4-[3-[4-[1-(2-amino-2-oxoethyl)pyrazol-4-yl]phenyl]pyrazolo[1,5-a]pyridin-4-yl]-2,2-dimethylbut-3-ynamide
SMILESCC(C)(C#Cc1cccn2ncc(-c3ccc(-c4cnn(CC(N)=O)c4)cc3)c12)C(N)=O
InChIInChI=1S/C24H22N6O2/c1-24(2,23(26)32)10-9-18-4-3-11-30-22(18)20(13-28-30)17-7-5-16(6-8-17)19-12-27-29(14-19)15-21(25)31/h3-8,11-14H,15H2,1-2H3,(H2,25,31)(H2,26,32)
InChIKeyLZFSECBGHFAQQJ-UHFFFAOYSA-N
XLogP2.21
TPSA121.30 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.48
LogP ≤ 52.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-[3-[4-[1-(2-amino-2-oxoethyl)pyrazol-4-yl]phenyl]pyrazolo[1,5-a]pyridin-4-yl]-2,2-dimethylbut-3-ynamide?
The IUPAC name of 4-[3-[4-[1-(2-amino-2-oxoethyl)pyrazol-4-yl]phenyl]pyrazolo[1,5-a]pyridin-4-yl]-2,2-dimethylbut-3-ynamide (CID 135260470) is 4-[3-[4-[1-(2-amino-2-oxoethyl)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-(2-amino-2-oxoethyl)pyrazol-4-yl]phenyl]pyrazolo[1,5-a]pyridin-4-yl]-2,2-dimethylbut-3-ynamide?
The canonical SMILES for 4-[3-[4-[1-(2-amino-2-oxoethyl)pyrazol-4-yl]phenyl]pyrazolo[1,5-a]pyridin-4-yl]-2,2-dimethylbut-3-ynamide is CC(C)(C#Cc1cccn2ncc(-c3ccc(-c4cnn(CC(N)=O)c4)cc3)c12)C(N)=O.
What is the InChIKey of 4-[3-[4-[1-(2-amino-2-oxoethyl)pyrazol-4-yl]phenyl]pyrazolo[1,5-a]pyridin-4-yl]-2,2-dimethylbut-3-ynamide?
The InChIKey is LZFSECBGHFAQQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22N6O2/c1-24(2,23(26)32)10-9-18-4-3-11-30-22(18)20(13-28-30)17-7-5-16(6-8-17)19-12-27-29(14-19)15-21(25)31/h3-8,11-14H,15H2,1-2H3,(H2,25,31)(H2,26,32).
What are the key properties of 4-[3-[4-[1-(2-amino-2-oxoethyl)pyrazol-4-yl]phenyl]pyrazolo[1,5-a]pyridin-4-yl]-2,2-dimethylbut-3-ynamide?
4-[3-[4-[1-(2-amino-2-oxoethyl)pyrazol-4-yl]phenyl]pyrazolo[1,5-a]pyridin-4-yl]-2,2-dimethylbut-3-ynamide has a molecular weight of 426.48 g/mol, XLogP of 2.21, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-[4-[1-(2-amino-2-oxoethyl)pyrazol-4-yl]phenyl]pyrazolo[1,5-a]pyridin-4-yl]-2,2-dimethylbut-3-ynamide is sourced from PubChem (CID 135260470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).