2-[(1,3-dimethylpyrazolo[5,4-b]pyridine-5-carbonyl)amino]-2-(oxan-3-yl)acetic acid

C16H20N4O4 — CID 120548646

IUPAC2-[(1,3-dimethylpyrazolo[5,4-b]pyridine-5-carbonyl)amino]-2-(oxan-3-yl)acetic acid
SMILESCc1nn(C)c2ncc(C(=O)NC(C(=O)O)C3CCCOC3)cc12
InChIInChI=1S/C16H20N4O4/c1-9-12-6-11(7-17-14(12)20(2)19-9)15(21)18-13(16(22)23)10-4-3-5-24-8-10/h6-7,10,13H,3-5,8H2,1-2H3,(H,18,21)(H,22,23)
InChIKeyBZWVNLSYJFQFQF-UHFFFAOYSA-N
MW332.36 g/mol
LogP0.89
Rot. Bonds4

About 2-[(1,3-dimethylpyrazolo[5,4-b]pyridine-5-carbonyl)amino]-2-(oxan-3-yl)acetic acid

2-[(1,3-dimethylpyrazolo[5,4-b]pyridine-5-carbonyl)amino]-2-(oxan-3-yl)acetic acid (PubChem CID 120548646) has the molecular formula C16H20N4O4 and a molecular weight of 332.36 g/mol. Its IUPAC name is 2-[(1,3-dimethylpyrazolo[5,4-b]pyridine-5-carbonyl)amino]-2-(oxan-3-yl)acetic acid.

Molecular Properties

Compound Name2-[(1,3-dimethylpyrazolo[5,4-b]pyridine-5-carbonyl)amino]-2-(oxan-3-yl)acetic acid
PubChem CID120548646
Molecular FormulaC16H20N4O4
Molecular Weight332.36 g/mol
Exact Mass332.15
IUPAC Name2-[(1,3-dimethylpyrazolo[5,4-b]pyridine-5-carbonyl)amino]-2-(oxan-3-yl)acetic acid
SMILESCc1nn(C)c2ncc(C(=O)NC(C(=O)O)C3CCCOC3)cc12
InChIInChI=1S/C16H20N4O4/c1-9-12-6-11(7-17-14(12)20(2)19-9)15(21)18-13(16(22)23)10-4-3-5-24-8-10/h6-7,10,13H,3-5,8H2,1-2H3,(H,18,21)(H,22,23)
InChIKeyBZWVNLSYJFQFQF-UHFFFAOYSA-N
XLogP0.89
TPSA106.34 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.36
LogP ≤ 50.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

1,3-dimethyl-N-[(1S)-1-[(2S)-oxolan-2-yl]ethyl]pyrazolo[5,4-b]pyridine-5-carboxamide
CID 35251975
2-[(3,5-dimethylbenzoyl)amino]-2-(oxan-3-yl)acetic acid
CID 120547871
N-cyclopropyl-1,3-dimethylpyrazolo[5,4-b]pyridine-5-carboxamide
CID 31327880
2-[(4-methylbenzoyl)amino]-2-(oxan-3-yl)acetic acid
CID 120549071
2-[(6-methoxypyridine-3-carbonyl)amino]-2-(oxan-3-yl)acetic acid
CID 120547837
2-[[4-(difluoromethoxy)-3,5-dimethylbenzoyl]amino]-2-(oxan-3-yl)acetic acid
CID 120547967
N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-1,3-dimethylpyrazolo[5,4-b]pyridine-5-carboxamide
CID 79246411
(2S)-2-[(1,3-dimethylpyrazolo[5,4-b]pyridine-5-carbonyl)amino]pentanoic acid
CID 107564561
(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
N-(4-hydroxycyclohexyl)-1,3-dimethylpyrazolo[5,4-b]pyridine-5-carboxamide
CID 43394642
N-(1-hydroxybutan-2-yl)-1,3-dimethylpyrazolo[5,4-b]pyridine-5-carboxamide
CID 43417939

Frequently Asked Questions

What is the IUPAC name of 2-[(1,3-dimethylpyrazolo[5,4-b]pyridine-5-carbonyl)amino]-2-(oxan-3-yl)acetic acid?
The IUPAC name of 2-[(1,3-dimethylpyrazolo[5,4-b]pyridine-5-carbonyl)amino]-2-(oxan-3-yl)acetic acid (CID 120548646) is 2-[(1,3-dimethylpyrazolo[5,4-b]pyridine-5-carbonyl)amino]-2-(oxan-3-yl)acetic acid.
What is the SMILES notation for 2-[(1,3-dimethylpyrazolo[5,4-b]pyridine-5-carbonyl)amino]-2-(oxan-3-yl)acetic acid?
The canonical SMILES for 2-[(1,3-dimethylpyrazolo[5,4-b]pyridine-5-carbonyl)amino]-2-(oxan-3-yl)acetic acid is Cc1nn(C)c2ncc(C(=O)NC(C(=O)O)C3CCCOC3)cc12.
What is the InChIKey of 2-[(1,3-dimethylpyrazolo[5,4-b]pyridine-5-carbonyl)amino]-2-(oxan-3-yl)acetic acid?
The InChIKey is BZWVNLSYJFQFQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4O4/c1-9-12-6-11(7-17-14(12)20(2)19-9)15(21)18-13(16(22)23)10-4-3-5-24-8-10/h6-7,10,13H,3-5,8H2,1-2H3,(H,18,21)(H,22,23).
What are the key properties of 2-[(1,3-dimethylpyrazolo[5,4-b]pyridine-5-carbonyl)amino]-2-(oxan-3-yl)acetic acid?
2-[(1,3-dimethylpyrazolo[5,4-b]pyridine-5-carbonyl)amino]-2-(oxan-3-yl)acetic acid has a molecular weight of 332.36 g/mol, XLogP of 0.89, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1,3-dimethylpyrazolo[5,4-b]pyridine-5-carbonyl)amino]-2-(oxan-3-yl)acetic acid is sourced from PubChem (CID 120548646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).