(2S)-2-[(1,3-dimethylpyrazolo[5,4-b]pyridine-5-carbonyl)amino]pentanoic acid

C14H18N4O3 — CID 107564561

IUPAC(2S)-2-[(1,3-dimethylpyrazolo[5,4-b]pyridine-5-carbonyl)amino]pentanoic acid
SMILESCCC[C@H](NC(=O)c1cnc2c(c1)c(C)nn2C)C(=O)O
InChIInChI=1S/C14H18N4O3/c1-4-5-11(14(20)21)16-13(19)9-6-10-8(2)17-18(3)12(10)15-7-9/h6-7,11H,4-5H2,1-3H3,(H,16,19)(H,20,21)/t11-/m0/s1
InChIKeyUQRLSDAWWAISQO-NSHDSACASA-N
MW290.32 g/mol
LogP1.26
Rot. Bonds5

About (2S)-2-[(1,3-dimethylpyrazolo[5,4-b]pyridine-5-carbonyl)amino]pentanoic acid

(2S)-2-[(1,3-dimethylpyrazolo[5,4-b]pyridine-5-carbonyl)amino]pentanoic acid (PubChem CID 107564561) has the molecular formula C14H18N4O3 and a molecular weight of 290.32 g/mol. Its IUPAC name is (2S)-2-[(1,3-dimethylpyrazolo[5,4-b]pyridine-5-carbonyl)amino]pentanoic acid.

Molecular Properties

Compound Name(2S)-2-[(1,3-dimethylpyrazolo[5,4-b]pyridine-5-carbonyl)amino]pentanoic acid
PubChem CID107564561
Molecular FormulaC14H18N4O3
Molecular Weight290.32 g/mol
Exact Mass290.14
IUPAC Name(2S)-2-[(1,3-dimethylpyrazolo[5,4-b]pyridine-5-carbonyl)amino]pentanoic acid
SMILESCCC[C@H](NC(=O)c1cnc2c(c1)c(C)nn2C)C(=O)O
InChIInChI=1S/C14H18N4O3/c1-4-5-11(14(20)21)16-13(19)9-6-10-8(2)17-18(3)12(10)15-7-9/h6-7,11H,4-5H2,1-3H3,(H,16,19)(H,20,21)/t11-/m0/s1
InChIKeyUQRLSDAWWAISQO-NSHDSACASA-N
XLogP1.26
TPSA97.11 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.32
LogP ≤ 51.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1,3-dimethyl-N-pentan-2-ylpyrazolo[5,4-b]pyridine-5-carboxamide
CID 42937289
(2S)-2-[(1,3-dimethylpyrazolo[5,4-b]pyridine-5-carbonyl)amino]-4-methylpentanoic acid
CID 119360944
(E)-2-[(1,3-dimethylpyrazolo[5,4-b]pyridine-5-carbonyl)amino]hex-4-enoic acid
CID 120692869
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-hydroxypropanoate
CID 43409851
N-(1-hydroxybutan-2-yl)-1,3-dimethylpyrazolo[5,4-b]pyridine-5-carboxamide
CID 43417939
N-(1-aminohexan-2-yl)-1,3-dimethylpyrazolo[5,4-b]pyridine-5-carboxamide;dihydrochloride
CID 119666075
N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-1,3-dimethylpyrazolo[5,4-b]pyridine-5-carboxamide
CID 79246411
methyl 2-[(1,3-dimethylpyrazolo[5,4-b]pyridine-5-carbonyl)amino]-3-methylpentanoate
CID 78839711
N-[(2R)-4-(4-hydroxyphenyl)butan-2-yl]-1,3-dimethylpyrazolo[5,4-b]pyridine-5-carboxamide
CID 99702094
3-[(1,3-dimethylpyrazolo[5,4-b]pyridine-5-carbonyl)amino]-3-ethylpentanoic acid
CID 120532576
2-[[(1,3-dimethylpyrazolo[5,4-b]pyridine-5-carbonyl)amino]methyl]-2-ethylbutanoic acid
CID 120533359

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[(1,3-dimethylpyrazolo[5,4-b]pyridine-5-carbonyl)amino]pentanoic acid?
The IUPAC name of (2S)-2-[(1,3-dimethylpyrazolo[5,4-b]pyridine-5-carbonyl)amino]pentanoic acid (CID 107564561) is (2S)-2-[(1,3-dimethylpyrazolo[5,4-b]pyridine-5-carbonyl)amino]pentanoic acid.
What is the SMILES notation for (2S)-2-[(1,3-dimethylpyrazolo[5,4-b]pyridine-5-carbonyl)amino]pentanoic acid?
The canonical SMILES for (2S)-2-[(1,3-dimethylpyrazolo[5,4-b]pyridine-5-carbonyl)amino]pentanoic acid is CCC[C@H](NC(=O)c1cnc2c(c1)c(C)nn2C)C(=O)O.
What is the InChIKey of (2S)-2-[(1,3-dimethylpyrazolo[5,4-b]pyridine-5-carbonyl)amino]pentanoic acid?
The InChIKey is UQRLSDAWWAISQO-NSHDSACASA-N. The full InChI is InChI=1S/C14H18N4O3/c1-4-5-11(14(20)21)16-13(19)9-6-10-8(2)17-18(3)12(10)15-7-9/h6-7,11H,4-5H2,1-3H3,(H,16,19)(H,20,21)/t11-/m0/s1.
What are the key properties of (2S)-2-[(1,3-dimethylpyrazolo[5,4-b]pyridine-5-carbonyl)amino]pentanoic acid?
(2S)-2-[(1,3-dimethylpyrazolo[5,4-b]pyridine-5-carbonyl)amino]pentanoic acid has a molecular weight of 290.32 g/mol, XLogP of 1.26, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[(1,3-dimethylpyrazolo[5,4-b]pyridine-5-carbonyl)amino]pentanoic acid is sourced from PubChem (CID 107564561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).