1-[2-(cyclopropylamino)-2-oxoethyl]-3,6-dimethylpyrazolo[3,4-b]pyridine-4-carboxylic acid

C14H16N4O3 — CID 25247585

IUPAC1-[2-(cyclopropylamino)-2-oxoethyl]-3,6-dimethylpyrazolo[3,4-b]pyridine-4-carboxylic acid
SMILESCc1cc(C(=O)O)c2c(C)nn(CC(=O)NC3CC3)c2n1
InChIInChI=1S/C14H16N4O3/c1-7-5-10(14(20)21)12-8(2)17-18(13(12)15-7)6-11(19)16-9-3-4-9/h5,9H,3-4,6H2,1-2H3,(H,16,19)(H,20,21)
InChIKeyIKKAQAWKSJPEGP-UHFFFAOYSA-N
MW288.31 g/mol
LogP1.02
Rot. Bonds4

About 1-[2-(cyclopropylamino)-2-oxoethyl]-3,6-dimethylpyrazolo[3,4-b]pyridine-4-carboxylic acid

1-[2-(cyclopropylamino)-2-oxoethyl]-3,6-dimethylpyrazolo[3,4-b]pyridine-4-carboxylic acid (PubChem CID 25247585) has the molecular formula C14H16N4O3 and a molecular weight of 288.31 g/mol. Its IUPAC name is 1-[2-(cyclopropylamino)-2-oxoethyl]-3,6-dimethylpyrazolo[3,4-b]pyridine-4-carboxylic acid.

Molecular Properties

Compound Name1-[2-(cyclopropylamino)-2-oxoethyl]-3,6-dimethylpyrazolo[3,4-b]pyridine-4-carboxylic acid
PubChem CID25247585
Molecular FormulaC14H16N4O3
Molecular Weight288.31 g/mol
Exact Mass288.12
IUPAC Name1-[2-(cyclopropylamino)-2-oxoethyl]-3,6-dimethylpyrazolo[3,4-b]pyridine-4-carboxylic acid
SMILESCc1cc(C(=O)O)c2c(C)nn(CC(=O)NC3CC3)c2n1
InChIInChI=1S/C14H16N4O3/c1-7-5-10(14(20)21)12-8(2)17-18(13(12)15-7)6-11(19)16-9-3-4-9/h5,9H,3-4,6H2,1-2H3,(H,16,19)(H,20,21)
InChIKeyIKKAQAWKSJPEGP-UHFFFAOYSA-N
XLogP1.02
TPSA97.11 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.31
LogP ≤ 51.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-[2-(cyclohexylamino)-2-oxoethyl]-3-cyclopropyl-6-methylpyrazolo[3,4-b]pyridine-4-carboxylic acid
CID 25247688
methyl 6-cyclopropyl-1-[2-(cyclopropylamino)-2-oxoethyl]-3-methylpyrazolo[5,4-b]pyridine-4-carboxylate
CID 25247593
N-cyclopropyl-2-(4,6-dimethyl-3-pyrrol-1-ylpyrazolo[5,4-b]pyridin-1-yl)acetamide
CID 20948315
2-[6-cyclopropyl-3-methyl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridin-1-yl]-N-(1-methylpiperidin-4-yl)acetamide
CID 19505821
(1-ethyl-3,6-dimethylpyrazolo[3,4-b]pyridin-4-yl)-(4-methylpiperidin-1-yl)methanone
CID 35533542
3,6-dimethyl-1-propan-2-ylpyrazolo[3,4-b]pyridine-4-carboxylic acid
CID 19619986
tert-butyl 4-[(1,3,6-trimethylpyrazolo[3,4-b]pyridine-4-carbonyl)amino]piperidine-1-carboxylate
CID 52731159
cis-(1S,3R)-3-[(1,3,6-trimethylpyrazolo[3,4-b]pyridine-4-carbonyl)amino]cyclopentane-1-carboxylic acid
CID 120675632
(1-ethyl-3,6-dimethylpyrazolo[3,4-b]pyridin-4-yl)-[(3R)-3-methylpiperidin-1-yl]methanone
CID 35522197
N-cyclopentyl-2-[3-methyl-4-(4-methylphenyl)pyrazolo[3,4-b]pyridin-1-yl]acetamide
CID 19485247
1-[2-(cyclopropylamino)-2-oxoethyl]-5-methyltriazole-4-carboxylic acid
CID 62054731
N-[4-(cyclopropylcarbamoylamino)phenyl]-1,3,6-trimethylpyrazolo[3,4-b]pyridine-4-carboxamide
CID 55531978

Frequently Asked Questions

What is the IUPAC name of 1-[2-(cyclopropylamino)-2-oxoethyl]-3,6-dimethylpyrazolo[3,4-b]pyridine-4-carboxylic acid?
The IUPAC name of 1-[2-(cyclopropylamino)-2-oxoethyl]-3,6-dimethylpyrazolo[3,4-b]pyridine-4-carboxylic acid (CID 25247585) is 1-[2-(cyclopropylamino)-2-oxoethyl]-3,6-dimethylpyrazolo[3,4-b]pyridine-4-carboxylic acid.
What is the SMILES notation for 1-[2-(cyclopropylamino)-2-oxoethyl]-3,6-dimethylpyrazolo[3,4-b]pyridine-4-carboxylic acid?
The canonical SMILES for 1-[2-(cyclopropylamino)-2-oxoethyl]-3,6-dimethylpyrazolo[3,4-b]pyridine-4-carboxylic acid is Cc1cc(C(=O)O)c2c(C)nn(CC(=O)NC3CC3)c2n1.
What is the InChIKey of 1-[2-(cyclopropylamino)-2-oxoethyl]-3,6-dimethylpyrazolo[3,4-b]pyridine-4-carboxylic acid?
The InChIKey is IKKAQAWKSJPEGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N4O3/c1-7-5-10(14(20)21)12-8(2)17-18(13(12)15-7)6-11(19)16-9-3-4-9/h5,9H,3-4,6H2,1-2H3,(H,16,19)(H,20,21).
What are the key properties of 1-[2-(cyclopropylamino)-2-oxoethyl]-3,6-dimethylpyrazolo[3,4-b]pyridine-4-carboxylic acid?
1-[2-(cyclopropylamino)-2-oxoethyl]-3,6-dimethylpyrazolo[3,4-b]pyridine-4-carboxylic acid has a molecular weight of 288.31 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 1-[2-(cyclopropylamino)-2-oxoethyl]-3,6-dimethylpyrazolo[3,4-b]pyridine-4-carboxylic acid is sourced from PubChem (CID 25247585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).