N-(1-propan-2-ylpyrazolo[3,4-b]pyridin-5-yl)hexanamide

C15H22N4O — CID 27693401

IUPACN-(1-propan-2-ylpyrazolo[3,4-b]pyridin-5-yl)hexanamide
SMILESCCCCCC(=O)Nc1cnc2c(cnn2C(C)C)c1
InChIInChI=1S/C15H22N4O/c1-4-5-6-7-14(20)18-13-8-12-9-17-19(11(2)3)15(12)16-10-13/h8-11H,4-7H2,1-3H3,(H,18,20)
InChIKeyJWQXQFSMHJFKHS-UHFFFAOYSA-N
MW274.37 g/mol
LogP3.53
Rot. Bonds6

About N-(1-propan-2-ylpyrazolo[3,4-b]pyridin-5-yl)hexanamide

N-(1-propan-2-ylpyrazolo[3,4-b]pyridin-5-yl)hexanamide (PubChem CID 27693401) has the molecular formula C15H22N4O and a molecular weight of 274.37 g/mol. Its IUPAC name is N-(1-propan-2-ylpyrazolo[3,4-b]pyridin-5-yl)hexanamide.

Molecular Properties

Compound NameN-(1-propan-2-ylpyrazolo[3,4-b]pyridin-5-yl)hexanamide
PubChem CID27693401
Molecular FormulaC15H22N4O
Molecular Weight274.37 g/mol
Exact Mass274.18
IUPAC NameN-(1-propan-2-ylpyrazolo[3,4-b]pyridin-5-yl)hexanamide
SMILESCCCCCC(=O)Nc1cnc2c(cnn2C(C)C)c1
InChIInChI=1S/C15H22N4O/c1-4-5-6-7-14(20)18-13-8-12-9-17-19(11(2)3)15(12)16-10-13/h8-11H,4-7H2,1-3H3,(H,18,20)
InChIKeyJWQXQFSMHJFKHS-UHFFFAOYSA-N
XLogP3.53
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.37
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-hydroxy-N-(1-propan-2-ylpyrazolo[3,4-b]pyridin-5-yl)butanamide
CID 79204946
N-(1-propan-2-ylpyrazolo[3,4-b]pyridin-5-yl)prop-2-enamide
CID 43616552
(2S)-2-amino-N-(1-propan-2-ylpyrazolo[3,4-b]pyridin-5-yl)hexanamide
CID 103831926
2-(butan-2-ylamino)-N-(1-propan-2-ylpyrazolo[3,4-b]pyridin-5-yl)acetamide
CID 61259933
tert-butyl N-[3-oxo-3-[(1-propan-2-ylpyrazolo[3,4-b]pyridin-5-yl)amino]propyl]carbamate
CID 38714330
1-(3-methylbutyl)-3-(1-propan-2-ylpyrazolo[3,4-b]pyridin-5-yl)urea
CID 51116464
2-methylsulfonyl-N-(1-propan-2-ylpyrazolo[3,4-b]pyridin-5-yl)propanamide
CID 51080497
3-(1-phenylbenzimidazol-2-yl)-N-(1-propan-2-ylpyrazolo[3,4-b]pyridin-5-yl)propanamide
CID 38714091
2-[(4-fluorophenyl)methylcarbamoylamino]-N-(1-propan-2-ylpyrazolo[3,4-b]pyridin-5-yl)acetamide
CID 41466802
2-[benzenesulfonyl(methyl)amino]-N-(1-propan-2-ylpyrazolo[3,4-b]pyridin-5-yl)acetamide
CID 46404473
N-(1-propan-2-ylpyrazolo[3,4-b]pyridin-5-yl)piperidine-4-carboxamide
CID 61258310
2,2-dichloro-1-methyl-N-(1-propan-2-ylpyrazolo[3,4-b]pyridin-5-yl)cyclopropane-1-carboxamide
CID 51256221

Frequently Asked Questions

What is the IUPAC name of N-(1-propan-2-ylpyrazolo[3,4-b]pyridin-5-yl)hexanamide?
The IUPAC name of N-(1-propan-2-ylpyrazolo[3,4-b]pyridin-5-yl)hexanamide (CID 27693401) is N-(1-propan-2-ylpyrazolo[3,4-b]pyridin-5-yl)hexanamide.
What is the SMILES notation for N-(1-propan-2-ylpyrazolo[3,4-b]pyridin-5-yl)hexanamide?
The canonical SMILES for N-(1-propan-2-ylpyrazolo[3,4-b]pyridin-5-yl)hexanamide is CCCCCC(=O)Nc1cnc2c(cnn2C(C)C)c1.
What is the InChIKey of N-(1-propan-2-ylpyrazolo[3,4-b]pyridin-5-yl)hexanamide?
The InChIKey is JWQXQFSMHJFKHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N4O/c1-4-5-6-7-14(20)18-13-8-12-9-17-19(11(2)3)15(12)16-10-13/h8-11H,4-7H2,1-3H3,(H,18,20).
What are the key properties of N-(1-propan-2-ylpyrazolo[3,4-b]pyridin-5-yl)hexanamide?
N-(1-propan-2-ylpyrazolo[3,4-b]pyridin-5-yl)hexanamide has a molecular weight of 274.37 g/mol, XLogP of 3.53, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-propan-2-ylpyrazolo[3,4-b]pyridin-5-yl)hexanamide is sourced from PubChem (CID 27693401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).