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

C14H20N4O2 — CID 79246411

IUPACN-[(2S)-1-hydroxy-3-methylbutan-2-yl]-1,3-dimethylpyrazolo[5,4-b]pyridine-5-carboxamide
SMILESCc1nn(C)c2ncc(C(=O)N[C@H](CO)C(C)C)cc12
InChIInChI=1S/C14H20N4O2/c1-8(2)12(7-19)16-14(20)10-5-11-9(3)17-18(4)13(11)15-6-10/h5-6,8,12,19H,7H2,1-4H3,(H,16,20)/t12-/m1/s1
InChIKeyALVTVUADAQELIH-GFCCVEGCSA-N
MW276.34 g/mol
LogP1.02
Rot. Bonds4

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

N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-1,3-dimethylpyrazolo[5,4-b]pyridine-5-carboxamide (PubChem CID 79246411) has the molecular formula C14H20N4O2 and a molecular weight of 276.34 g/mol. Its IUPAC name is N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-1,3-dimethylpyrazolo[5,4-b]pyridine-5-carboxamide.

Molecular Properties

Compound NameN-[(2S)-1-hydroxy-3-methylbutan-2-yl]-1,3-dimethylpyrazolo[5,4-b]pyridine-5-carboxamide
PubChem CID79246411
Molecular FormulaC14H20N4O2
Molecular Weight276.34 g/mol
Exact Mass276.16
IUPAC NameN-[(2S)-1-hydroxy-3-methylbutan-2-yl]-1,3-dimethylpyrazolo[5,4-b]pyridine-5-carboxamide
SMILESCc1nn(C)c2ncc(C(=O)N[C@H](CO)C(C)C)cc12
InChIInChI=1S/C14H20N4O2/c1-8(2)12(7-19)16-14(20)10-5-11-9(3)17-18(4)13(11)15-6-10/h5-6,8,12,19H,7H2,1-4H3,(H,16,20)/t12-/m1/s1
InChIKeyALVTVUADAQELIH-GFCCVEGCSA-N
XLogP1.02
TPSA80.04 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.34
LogP ≤ 51.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(1-hydroxybutan-2-yl)-1,3-dimethylpyrazolo[5,4-b]pyridine-5-carboxamide
CID 43417939
1,3-dimethyl-N-pentan-2-ylpyrazolo[5,4-b]pyridine-5-carboxamide
CID 42937289
methyl 2-[(1,3-dimethylpyrazolo[5,4-b]pyridine-5-carbonyl)amino]-3-hydroxypropanoate
CID 43409851
N-(3-hydroxy-2-methylpropyl)-1,3-dimethylpyrazolo[5,4-b]pyridine-5-carboxamide
CID 65031981
(2S)-2-[(1,3-dimethylpyrazolo[5,4-b]pyridine-5-carbonyl)amino]-4-methylpentanoic acid
CID 119360944
2-[(1,3-dimethylpyrazolo[5,4-b]pyridine-5-carbonyl)amino]-3-methylpentanoic acid
CID 120520882
methyl 2-[(1,3-dimethylpyrazolo[5,4-b]pyridine-5-carbonyl)amino]-3-methylpentanoate
CID 78839711
(2S)-2-[(1,3-dimethylpyrazolo[5,4-b]pyridine-5-carbonyl)amino]pentanoic acid
CID 107564561
N-(3-hydroxy-2,2,4-trimethylpentyl)-1,3-dimethylpyrazolo[5,4-b]pyridine-5-carboxamide
CID 109380798
N-[(2R)-4-(4-hydroxyphenyl)butan-2-yl]-1,3-dimethylpyrazolo[5,4-b]pyridine-5-carboxamide
CID 99702094
N-(3-amino-2-hydroxy-3-oxopropyl)-1,3-dimethylpyrazolo[5,4-b]pyridine-5-carboxamide
CID 107362564
(E)-2-[(1,3-dimethylpyrazolo[5,4-b]pyridine-5-carbonyl)amino]hex-4-enoic acid
CID 120692869

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-1,3-dimethylpyrazolo[5,4-b]pyridine-5-carboxamide?
The IUPAC name of N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-1,3-dimethylpyrazolo[5,4-b]pyridine-5-carboxamide (CID 79246411) is N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-1,3-dimethylpyrazolo[5,4-b]pyridine-5-carboxamide.
What is the SMILES notation for N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-1,3-dimethylpyrazolo[5,4-b]pyridine-5-carboxamide?
The canonical SMILES for N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-1,3-dimethylpyrazolo[5,4-b]pyridine-5-carboxamide is Cc1nn(C)c2ncc(C(=O)N[C@H](CO)C(C)C)cc12.
What is the InChIKey of N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-1,3-dimethylpyrazolo[5,4-b]pyridine-5-carboxamide?
The InChIKey is ALVTVUADAQELIH-GFCCVEGCSA-N. The full InChI is InChI=1S/C14H20N4O2/c1-8(2)12(7-19)16-14(20)10-5-11-9(3)17-18(4)13(11)15-6-10/h5-6,8,12,19H,7H2,1-4H3,(H,16,20)/t12-/m1/s1.
What are the key properties of N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-1,3-dimethylpyrazolo[5,4-b]pyridine-5-carboxamide?
N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-1,3-dimethylpyrazolo[5,4-b]pyridine-5-carboxamide has a molecular weight of 276.34 g/mol, XLogP of 1.02, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-1,3-dimethylpyrazolo[5,4-b]pyridine-5-carboxamide is sourced from PubChem (CID 79246411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).