4-amino-2-phenyl-N-(1H-pyrazolo[4,5-b]pyridin-5-yl)butanamide

C16H17N5O — CID 10171713

IUPAC4-amino-2-phenyl-N-(1H-pyrazolo[4,5-b]pyridin-5-yl)butanamide
SMILESNCCC(C(=O)Nc1ccc2[nH]ncc2n1)c1ccccc1
InChIInChI=1S/C16H17N5O/c17-9-8-12(11-4-2-1-3-5-11)16(22)20-15-7-6-13-14(19-15)10-18-21-13/h1-7,10,12H,8-9,17H2,(H,18,21)(H,19,20,22)
InChIKeyDYGIPLMGMMWKMU-UHFFFAOYSA-N
MW295.35 g/mol
LogP2.03
Rot. Bonds5

About 4-amino-2-phenyl-N-(1H-pyrazolo[4,5-b]pyridin-5-yl)butanamide

4-amino-2-phenyl-N-(1H-pyrazolo[4,5-b]pyridin-5-yl)butanamide (PubChem CID 10171713) has the molecular formula C16H17N5O and a molecular weight of 295.35 g/mol. Its IUPAC name is 4-amino-2-phenyl-N-(1H-pyrazolo[4,5-b]pyridin-5-yl)butanamide.

Molecular Properties

Compound Name4-amino-2-phenyl-N-(1H-pyrazolo[4,5-b]pyridin-5-yl)butanamide
PubChem CID10171713
Molecular FormulaC16H17N5O
Molecular Weight295.35 g/mol
Exact Mass295.14
IUPAC Name4-amino-2-phenyl-N-(1H-pyrazolo[4,5-b]pyridin-5-yl)butanamide
SMILESNCCC(C(=O)Nc1ccc2[nH]ncc2n1)c1ccccc1
InChIInChI=1S/C16H17N5O/c17-9-8-12(11-4-2-1-3-5-11)16(22)20-15-7-6-13-14(19-15)10-18-21-13/h1-7,10,12H,8-9,17H2,(H,18,21)(H,19,20,22)
InChIKeyDYGIPLMGMMWKMU-UHFFFAOYSA-N
XLogP2.03
TPSA96.69 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.35
LogP ≤ 52.03
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

4-amino-N-cinnolin-6-yl-2-phenylbutanamide
CID 67950451
N-methyl-1H-pyrazolo[4,5-b]pyridin-5-amine
CID 144643083
4-amino-N-(2-methylpropyl)-2-phenylbutanamide
CID 112515492
sodium;4-amino-2-phenylbutanoic acid;hydride
CID 174638608
methyl 4-amino-2-phenylbutanoate;hydrochloride
CID 66905089
N-[5-[(4-amino-2-phenylbutanoyl)amino]-1H-indazol-3-yl]-1,2-oxazole-3-carboxamide
CID 23571026
3-amino-N-(5-ethyl-1H-pyrazol-3-yl)-2-phenylpropanamide
CID 104618025
3-amino-N-(4,6-dimethylpyrimidin-2-yl)-2-phenylpropanamide
CID 62878158
N-[5-[(4-amino-2-phenylbutanoyl)amino]-1H-indazol-3-yl]-1-methylpyrrole-2-carboxamide
CID 23571019
N-[5-[(4-amino-2-phenylbutanoyl)amino]-1H-indazol-3-yl]-N-methylthiophene-2-carboxamide
CID 23571029
N-(1H-indazol-6-yl)-2-phenyl-3-pyridin-3-ylpropanamide
CID 110673734
2-chloro-N-(1H-indazol-5-yl)-2-phenylacetamide
CID 43698093

Frequently Asked Questions

What is the IUPAC name of 4-amino-2-phenyl-N-(1H-pyrazolo[4,5-b]pyridin-5-yl)butanamide?
The IUPAC name of 4-amino-2-phenyl-N-(1H-pyrazolo[4,5-b]pyridin-5-yl)butanamide (CID 10171713) is 4-amino-2-phenyl-N-(1H-pyrazolo[4,5-b]pyridin-5-yl)butanamide.
What is the SMILES notation for 4-amino-2-phenyl-N-(1H-pyrazolo[4,5-b]pyridin-5-yl)butanamide?
The canonical SMILES for 4-amino-2-phenyl-N-(1H-pyrazolo[4,5-b]pyridin-5-yl)butanamide is NCCC(C(=O)Nc1ccc2[nH]ncc2n1)c1ccccc1.
What is the InChIKey of 4-amino-2-phenyl-N-(1H-pyrazolo[4,5-b]pyridin-5-yl)butanamide?
The InChIKey is DYGIPLMGMMWKMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N5O/c17-9-8-12(11-4-2-1-3-5-11)16(22)20-15-7-6-13-14(19-15)10-18-21-13/h1-7,10,12H,8-9,17H2,(H,18,21)(H,19,20,22).
What are the key properties of 4-amino-2-phenyl-N-(1H-pyrazolo[4,5-b]pyridin-5-yl)butanamide?
4-amino-2-phenyl-N-(1H-pyrazolo[4,5-b]pyridin-5-yl)butanamide has a molecular weight of 295.35 g/mol, XLogP of 2.03, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-2-phenyl-N-(1H-pyrazolo[4,5-b]pyridin-5-yl)butanamide is sourced from PubChem (CID 10171713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).