N-(3-hydroxy-2,2,4-trimethylpentyl)-1,3-dimethylpyrazolo[5,4-b]pyridine-5-carboxamide

C17H26N4O2 — CID 109380798

IUPACN-(3-hydroxy-2,2,4-trimethylpentyl)-1,3-dimethylpyrazolo[5,4-b]pyridine-5-carboxamide
SMILESCc1nn(C)c2ncc(C(=O)NCC(C)(C)C(O)C(C)C)cc12
InChIInChI=1S/C17H26N4O2/c1-10(2)14(22)17(4,5)9-19-16(23)12-7-13-11(3)20-21(6)15(13)18-8-12/h7-8,10,14,22H,9H2,1-6H3,(H,19,23)
InChIKeyDCECRFBPOKEVGS-UHFFFAOYSA-N
MW318.42 g/mol
LogP2.05
Rot. Bonds5

About N-(3-hydroxy-2,2,4-trimethylpentyl)-1,3-dimethylpyrazolo[5,4-b]pyridine-5-carboxamide

N-(3-hydroxy-2,2,4-trimethylpentyl)-1,3-dimethylpyrazolo[5,4-b]pyridine-5-carboxamide (PubChem CID 109380798) has the molecular formula C17H26N4O2 and a molecular weight of 318.42 g/mol. Its IUPAC name is N-(3-hydroxy-2,2,4-trimethylpentyl)-1,3-dimethylpyrazolo[5,4-b]pyridine-5-carboxamide.

Molecular Properties

Compound NameN-(3-hydroxy-2,2,4-trimethylpentyl)-1,3-dimethylpyrazolo[5,4-b]pyridine-5-carboxamide
PubChem CID109380798
Molecular FormulaC17H26N4O2
Molecular Weight318.42 g/mol
Exact Mass318.21
IUPAC NameN-(3-hydroxy-2,2,4-trimethylpentyl)-1,3-dimethylpyrazolo[5,4-b]pyridine-5-carboxamide
SMILESCc1nn(C)c2ncc(C(=O)NCC(C)(C)C(O)C(C)C)cc12
InChIInChI=1S/C17H26N4O2/c1-10(2)14(22)17(4,5)9-19-16(23)12-7-13-11(3)20-21(6)15(13)18-8-12/h7-8,10,14,22H,9H2,1-6H3,(H,19,23)
InChIKeyDCECRFBPOKEVGS-UHFFFAOYSA-N
XLogP2.05
TPSA80.04 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.42
LogP ≤ 52.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2,3-dihydroxy-2-methylpropyl)-1,3-dimethylpyrazolo[5,4-b]pyridine-5-carboxamide
CID 66168311
N-(3-hydroxy-2-methylpropyl)-1,3-dimethylpyrazolo[5,4-b]pyridine-5-carboxamide
CID 65031981
2-[[(1,3-dimethylpyrazolo[5,4-b]pyridine-5-carbonyl)amino]methyl]-2-ethylbutanoic acid
CID 120533359
N-(3-amino-2-hydroxy-3-oxopropyl)-1,3-dimethylpyrazolo[5,4-b]pyridine-5-carboxamide
CID 107362564
N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-1,3-dimethylpyrazolo[5,4-b]pyridine-5-carboxamide
CID 79246411
N-[2-(2,5-dimethylfuran-3-yl)-2-hydroxypropyl]-1,3-dimethylpyrazolo[5,4-b]pyridine-5-carboxamide
CID 111478937
1,3-dimethyl-N-pentan-2-ylpyrazolo[5,4-b]pyridine-5-carboxamide
CID 42937289
1,3-dimethyl-N-[3-(methylamino)propyl]pyrazolo[5,4-b]pyridine-5-carboxamide;dihydrochloride
CID 119430925
N-(3-hydroxy-2,2,4-trimethylpentyl)-1-(2-methylpropyl)pyrazolo[3,4-b]pyridine-5-carboxamide
CID 109381046
N-[(4-hydroxyphenyl)methyl]-1,3-dimethylpyrazolo[5,4-b]pyridine-5-carboxamide
CID 78845162
methyl 2-[(1,3-dimethylpyrazolo[5,4-b]pyridine-5-carbonyl)amino]-2-methylpropanoate
CID 43074404
(2S)-2-[(1,3-dimethylpyrazolo[5,4-b]pyridine-5-carbonyl)amino]-4-methylpentanoic acid
CID 119360944

Frequently Asked Questions

What is the IUPAC name of N-(3-hydroxy-2,2,4-trimethylpentyl)-1,3-dimethylpyrazolo[5,4-b]pyridine-5-carboxamide?
The IUPAC name of N-(3-hydroxy-2,2,4-trimethylpentyl)-1,3-dimethylpyrazolo[5,4-b]pyridine-5-carboxamide (CID 109380798) is N-(3-hydroxy-2,2,4-trimethylpentyl)-1,3-dimethylpyrazolo[5,4-b]pyridine-5-carboxamide.
What is the SMILES notation for N-(3-hydroxy-2,2,4-trimethylpentyl)-1,3-dimethylpyrazolo[5,4-b]pyridine-5-carboxamide?
The canonical SMILES for N-(3-hydroxy-2,2,4-trimethylpentyl)-1,3-dimethylpyrazolo[5,4-b]pyridine-5-carboxamide is Cc1nn(C)c2ncc(C(=O)NCC(C)(C)C(O)C(C)C)cc12.
What is the InChIKey of N-(3-hydroxy-2,2,4-trimethylpentyl)-1,3-dimethylpyrazolo[5,4-b]pyridine-5-carboxamide?
The InChIKey is DCECRFBPOKEVGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N4O2/c1-10(2)14(22)17(4,5)9-19-16(23)12-7-13-11(3)20-21(6)15(13)18-8-12/h7-8,10,14,22H,9H2,1-6H3,(H,19,23).
What are the key properties of N-(3-hydroxy-2,2,4-trimethylpentyl)-1,3-dimethylpyrazolo[5,4-b]pyridine-5-carboxamide?
N-(3-hydroxy-2,2,4-trimethylpentyl)-1,3-dimethylpyrazolo[5,4-b]pyridine-5-carboxamide has a molecular weight of 318.42 g/mol, XLogP of 2.05, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-hydroxy-2,2,4-trimethylpentyl)-1,3-dimethylpyrazolo[5,4-b]pyridine-5-carboxamide is sourced from PubChem (CID 109380798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).