3,3-dimethyl-4-(1H-pyrazolo[3,4-b]pyridin-5-yl)-4-pyridin-3-ylbutanamide

C17H19N5O — CID 118946354

IUPAC3,3-dimethyl-4-(1H-pyrazolo[3,4-b]pyridin-5-yl)-4-pyridin-3-ylbutanamide
SMILESCC(C)(CC(N)=O)C(c1cccnc1)c1cnc2[nH]ncc2c1
InChIInChI=1S/C17H19N5O/c1-17(2,7-14(18)23)15(11-4-3-5-19-8-11)12-6-13-10-21-22-16(13)20-9-12/h3-6,8-10,15H,7H2,1-2H3,(H2,18,23)(H,20,21,22)
InChIKeySANRVHJTTVXDKT-UHFFFAOYSA-N
MW309.37 g/mol
LogP2.39
Rot. Bonds5

About 3,3-dimethyl-4-(1H-pyrazolo[3,4-b]pyridin-5-yl)-4-pyridin-3-ylbutanamide

3,3-dimethyl-4-(1H-pyrazolo[3,4-b]pyridin-5-yl)-4-pyridin-3-ylbutanamide (PubChem CID 118946354) has the molecular formula C17H19N5O and a molecular weight of 309.37 g/mol. Its IUPAC name is 3,3-dimethyl-4-(1H-pyrazolo[3,4-b]pyridin-5-yl)-4-pyridin-3-ylbutanamide.

Molecular Properties

Compound Name3,3-dimethyl-4-(1H-pyrazolo[3,4-b]pyridin-5-yl)-4-pyridin-3-ylbutanamide
PubChem CID118946354
Molecular FormulaC17H19N5O
Molecular Weight309.37 g/mol
Exact Mass309.16
IUPAC Name3,3-dimethyl-4-(1H-pyrazolo[3,4-b]pyridin-5-yl)-4-pyridin-3-ylbutanamide
SMILESCC(C)(CC(N)=O)C(c1cccnc1)c1cnc2[nH]ncc2c1
InChIInChI=1S/C17H19N5O/c1-17(2,7-14(18)23)15(11-4-3-5-19-8-11)12-6-13-10-21-22-16(13)20-9-12/h3-6,8-10,15H,7H2,1-2H3,(H2,18,23)(H,20,21,22)
InChIKeySANRVHJTTVXDKT-UHFFFAOYSA-N
XLogP2.39
TPSA97.55 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.37
LogP ≤ 52.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 3,3-dimethyl-4-(1H-pyrazolo[3,4-b]pyridin-5-yl)-4-pyridin-3-ylbutanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3,3-dimethyl-4,4-dipyridin-3-ylbutanamide
CID 118946294
5-(1H-pyrazolo[3,4-b]pyridin-5-yl)-5-pyridin-3-ylpentanamide
CID 118946304
3-(6-fluoro-1H-indazol-5-yl)-3-pyridin-3-ylpropanamide
CID 118948491
methanamine;1H-pyrazolo[5,4-b]pyridine
CID 143863701
2-[(2-amino-2-oxoethyl)-(2-amino-1-pyridin-3-ylpropyl)amino]acetamide
CID 62923105
ethyl 2,2-dimethyl-4-oxo-4-[[(1R)-1-pyridin-3-ylethyl]amino]butanoate
CID 124737622
3-amino-3-pyridin-3-ylpropanamide;methanamine
CID 144589077
3-(methylamino)-3-pyridin-3-ylbutanamide
CID 65236236
methyl (2S)-3-amino-2-pyridin-3-ylpropanoate
CID 57242808
2,2-dimethyl-4-oxo-4-[[(1S)-1-pyridin-3-ylethyl]amino]butanoic acid
CID 81407790
N-(1H-pyrazolo[3,4-b]pyridin-5-yl)-N-pyridin-3-ylcyclopentanecarboxamide
CID 118946301
1-amino-2-pyridin-3-ylpentan-3-ol
CID 80523388

Frequently Asked Questions

What is the IUPAC name of 3,3-dimethyl-4-(1H-pyrazolo[3,4-b]pyridin-5-yl)-4-pyridin-3-ylbutanamide?
The IUPAC name of 3,3-dimethyl-4-(1H-pyrazolo[3,4-b]pyridin-5-yl)-4-pyridin-3-ylbutanamide (CID 118946354) is 3,3-dimethyl-4-(1H-pyrazolo[3,4-b]pyridin-5-yl)-4-pyridin-3-ylbutanamide.
What is the SMILES notation for 3,3-dimethyl-4-(1H-pyrazolo[3,4-b]pyridin-5-yl)-4-pyridin-3-ylbutanamide?
The canonical SMILES for 3,3-dimethyl-4-(1H-pyrazolo[3,4-b]pyridin-5-yl)-4-pyridin-3-ylbutanamide is CC(C)(CC(N)=O)C(c1cccnc1)c1cnc2[nH]ncc2c1.
What is the InChIKey of 3,3-dimethyl-4-(1H-pyrazolo[3,4-b]pyridin-5-yl)-4-pyridin-3-ylbutanamide?
The InChIKey is SANRVHJTTVXDKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N5O/c1-17(2,7-14(18)23)15(11-4-3-5-19-8-11)12-6-13-10-21-22-16(13)20-9-12/h3-6,8-10,15H,7H2,1-2H3,(H2,18,23)(H,20,21,22).
What are the key properties of 3,3-dimethyl-4-(1H-pyrazolo[3,4-b]pyridin-5-yl)-4-pyridin-3-ylbutanamide?
3,3-dimethyl-4-(1H-pyrazolo[3,4-b]pyridin-5-yl)-4-pyridin-3-ylbutanamide has a molecular weight of 309.37 g/mol, XLogP of 2.39, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dimethyl-4-(1H-pyrazolo[3,4-b]pyridin-5-yl)-4-pyridin-3-ylbutanamide is sourced from PubChem (CID 118946354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).