2-(1-butan-2-yl-4,6-dimethylpyrazolo[3,4-b]pyridin-5-yl)acetic acid

C14H19N3O2 — CID 16773660

IUPAC2-(1-butan-2-yl-4,6-dimethylpyrazolo[3,4-b]pyridin-5-yl)acetic acid
SMILESCCC(C)n1ncc2c(C)c(CC(=O)O)c(C)nc21
InChIInChI=1S/C14H19N3O2/c1-5-8(2)17-14-12(7-15-17)9(3)11(6-13(18)19)10(4)16-14/h7-8H,5-6H2,1-4H3,(H,18,19)
InChIKeySASUADDXDPWNQH-UHFFFAOYSA-N
MW261.32 g/mol
LogP2.65
Rot. Bonds4

About 2-(1-butan-2-yl-4,6-dimethylpyrazolo[3,4-b]pyridin-5-yl)acetic acid

2-(1-butan-2-yl-4,6-dimethylpyrazolo[3,4-b]pyridin-5-yl)acetic acid (PubChem CID 16773660) has the molecular formula C14H19N3O2 and a molecular weight of 261.32 g/mol. Its IUPAC name is 2-(1-butan-2-yl-4,6-dimethylpyrazolo[3,4-b]pyridin-5-yl)acetic acid.

Molecular Properties

Compound Name2-(1-butan-2-yl-4,6-dimethylpyrazolo[3,4-b]pyridin-5-yl)acetic acid
PubChem CID16773660
Molecular FormulaC14H19N3O2
Molecular Weight261.32 g/mol
Exact Mass261.15
IUPAC Name2-(1-butan-2-yl-4,6-dimethylpyrazolo[3,4-b]pyridin-5-yl)acetic acid
SMILESCCC(C)n1ncc2c(C)c(CC(=O)O)c(C)nc21
InChIInChI=1S/C14H19N3O2/c1-5-8(2)17-14-12(7-15-17)9(3)11(6-13(18)19)10(4)16-14/h7-8H,5-6H2,1-4H3,(H,18,19)
InChIKeySASUADDXDPWNQH-UHFFFAOYSA-N
XLogP2.65
TPSA68.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.32
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4,6-dimethyl-1-propan-2-ylpyrazolo[3,4-b]pyridin-5-yl)acetic acid
CID 16776065
2-(4,6-dimethyl-1-propylpyrazolo[3,4-b]pyridin-5-yl)acetic acid
CID 55032246
1-[(2R)-butan-2-yl]-6-methylpyrazolo[3,4-b]pyridine-4-carboxylic acid
CID 28842366
1-butan-2-yl-6-pyridin-4-ylpyrazolo[5,4-b]pyridine-4-carboxylic acid
CID 16790291
3-[(1-butan-2-yl-6-methylpyrazolo[3,4-b]pyridine-4-carbonyl)-(2-methylpropyl)amino]propanoic acid
CID 120516403
(2R)-3-[1-[(2S)-butan-2-yl]-6-methylpyrazolo[3,4-b]pyridin-4-yl]-2-cyano-N-methyl-3-oxopropanamide
CID 98129140
(2R)-2-[(1-butan-2-yl-6-methylpyrazolo[3,4-b]pyridine-4-carbonyl)amino]-4-methylpentanoic acid
CID 119363231
1-[(2S)-butan-2-yl]-6-methyl-N,N-bis(prop-2-enyl)pyrazolo[3,4-b]pyridine-4-carboxamide
CID 95152320
1-(1-butan-2-yl-6-methylpyrazolo[3,4-b]pyridine-4-carbonyl)piperidine-4-carboxylic acid
CID 119349273
1-(1-butan-2-yl-6-methylpyrazolo[3,4-b]pyridine-4-carbonyl)-5-methylpiperidine-3-carboxylic acid
CID 122117753
1-[(1-butan-2-yl-6-methylpyrazolo[3,4-b]pyridine-4-carbonyl)amino]cyclobutane-1-carboxylic acid
CID 120530906
2-[(1-butan-2-yl-6-methylpyrazolo[3,4-b]pyridine-4-carbonyl)-(2-phenylethyl)amino]acetic acid
CID 119347213

Frequently Asked Questions

What is the IUPAC name of 2-(1-butan-2-yl-4,6-dimethylpyrazolo[3,4-b]pyridin-5-yl)acetic acid?
The IUPAC name of 2-(1-butan-2-yl-4,6-dimethylpyrazolo[3,4-b]pyridin-5-yl)acetic acid (CID 16773660) is 2-(1-butan-2-yl-4,6-dimethylpyrazolo[3,4-b]pyridin-5-yl)acetic acid.
What is the SMILES notation for 2-(1-butan-2-yl-4,6-dimethylpyrazolo[3,4-b]pyridin-5-yl)acetic acid?
The canonical SMILES for 2-(1-butan-2-yl-4,6-dimethylpyrazolo[3,4-b]pyridin-5-yl)acetic acid is CCC(C)n1ncc2c(C)c(CC(=O)O)c(C)nc21.
What is the InChIKey of 2-(1-butan-2-yl-4,6-dimethylpyrazolo[3,4-b]pyridin-5-yl)acetic acid?
The InChIKey is SASUADDXDPWNQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O2/c1-5-8(2)17-14-12(7-15-17)9(3)11(6-13(18)19)10(4)16-14/h7-8H,5-6H2,1-4H3,(H,18,19).
What are the key properties of 2-(1-butan-2-yl-4,6-dimethylpyrazolo[3,4-b]pyridin-5-yl)acetic acid?
2-(1-butan-2-yl-4,6-dimethylpyrazolo[3,4-b]pyridin-5-yl)acetic acid has a molecular weight of 261.32 g/mol, XLogP of 2.65, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-butan-2-yl-4,6-dimethylpyrazolo[3,4-b]pyridin-5-yl)acetic acid is sourced from PubChem (CID 16773660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).