8-[(6-methyl-1-propan-2-ylpyrazolo[3,4-b]pyridine-4-carbonyl)amino]octanoic acid

C19H28N4O3 — CID 120535674

IUPAC8-[(6-methyl-1-propan-2-ylpyrazolo[3,4-b]pyridine-4-carbonyl)amino]octanoic acid
SMILESCc1cc(C(=O)NCCCCCCCC(=O)O)c2cnn(C(C)C)c2n1
InChIInChI=1S/C19H28N4O3/c1-13(2)23-18-16(12-21-23)15(11-14(3)22-18)19(26)20-10-8-6-4-5-7-9-17(24)25/h11-13H,4-10H2,1-3H3,(H,20,26)(H,24,25)
InChIKeyZDYOFWXWJLDRKF-UHFFFAOYSA-N
MW360.46 g/mol
LogP3.48
Rot. Bonds10

About 8-[(6-methyl-1-propan-2-ylpyrazolo[3,4-b]pyridine-4-carbonyl)amino]octanoic acid

8-[(6-methyl-1-propan-2-ylpyrazolo[3,4-b]pyridine-4-carbonyl)amino]octanoic acid (PubChem CID 120535674) has the molecular formula C19H28N4O3 and a molecular weight of 360.46 g/mol. Its IUPAC name is 8-[(6-methyl-1-propan-2-ylpyrazolo[3,4-b]pyridine-4-carbonyl)amino]octanoic acid.

Molecular Properties

Compound Name8-[(6-methyl-1-propan-2-ylpyrazolo[3,4-b]pyridine-4-carbonyl)amino]octanoic acid
PubChem CID120535674
Molecular FormulaC19H28N4O3
Molecular Weight360.46 g/mol
Exact Mass360.22
IUPAC Name8-[(6-methyl-1-propan-2-ylpyrazolo[3,4-b]pyridine-4-carbonyl)amino]octanoic acid
SMILESCc1cc(C(=O)NCCCCCCCC(=O)O)c2cnn(C(C)C)c2n1
InChIInChI=1S/C19H28N4O3/c1-13(2)23-18-16(12-21-23)15(11-14(3)22-18)19(26)20-10-8-6-4-5-7-9-17(24)25/h11-13H,4-10H2,1-3H3,(H,20,26)(H,24,25)
InChIKeyZDYOFWXWJLDRKF-UHFFFAOYSA-N
XLogP3.48
TPSA97.11 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.46
LogP ≤ 53.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[2-(ethylamino)ethyl]-6-methyl-1-propan-2-ylpyrazolo[3,4-b]pyridine-4-carboxamide;dihydrochloride
CID 119504676
6-methyl-1-propan-2-yl-N-prop-2-ynylpyrazolo[3,4-b]pyridine-4-carboxamide
CID 43044165
4-[2-[(6-methyl-1-propan-2-ylpyrazolo[3,4-b]pyridine-4-carbonyl)amino]ethyl]benzoic acid
CID 120513011
6-methyl-N-[2-(6-methyl-2-pyridinyl)ethyl]-1-propan-2-ylpyrazolo[3,4-b]pyridine-4-carboxamide
CID 100616519
6-methyl-N-[2-(methylamino)propyl]-1-propan-2-ylpyrazolo[3,4-b]pyridine-4-carboxamide;dihydrochloride
CID 120828292
N-pentyl-1,6-di(propan-2-yl)pyrazolo[5,4-b]pyridine-4-carboxamide
CID 24512488
methyl 6-[(6-cyclopropyl-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carbonyl)amino]hexanoate
CID 31840060
2-[(6-methyl-1-propan-2-ylpyrazolo[3,4-b]pyridine-4-carbonyl)amino]butanoic acid
CID 120523353
N-[(1-hydroxycyclopentyl)methyl]-6-methyl-1-propan-2-ylpyrazolo[3,4-b]pyridine-4-carboxamide
CID 111333170
N-(2-amino-2-ethylbutyl)-6-methyl-1-propan-2-ylpyrazolo[3,4-b]pyridine-4-carboxamide;dihydrochloride
CID 119639741
2-methyl-5-[[(6-methyl-1-propan-2-ylpyrazolo[3,4-b]pyridine-4-carbonyl)amino]methyl]furan-3-carboxylic acid
CID 120523936
6-methyl-N-(2-piperidin-3-ylethyl)-1-propan-2-ylpyrazolo[3,4-b]pyridine-4-carboxamide
CID 119555058

Frequently Asked Questions

What is the IUPAC name of 8-[(6-methyl-1-propan-2-ylpyrazolo[3,4-b]pyridine-4-carbonyl)amino]octanoic acid?
The IUPAC name of 8-[(6-methyl-1-propan-2-ylpyrazolo[3,4-b]pyridine-4-carbonyl)amino]octanoic acid (CID 120535674) is 8-[(6-methyl-1-propan-2-ylpyrazolo[3,4-b]pyridine-4-carbonyl)amino]octanoic acid.
What is the SMILES notation for 8-[(6-methyl-1-propan-2-ylpyrazolo[3,4-b]pyridine-4-carbonyl)amino]octanoic acid?
The canonical SMILES for 8-[(6-methyl-1-propan-2-ylpyrazolo[3,4-b]pyridine-4-carbonyl)amino]octanoic acid is Cc1cc(C(=O)NCCCCCCCC(=O)O)c2cnn(C(C)C)c2n1.
What is the InChIKey of 8-[(6-methyl-1-propan-2-ylpyrazolo[3,4-b]pyridine-4-carbonyl)amino]octanoic acid?
The InChIKey is ZDYOFWXWJLDRKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N4O3/c1-13(2)23-18-16(12-21-23)15(11-14(3)22-18)19(26)20-10-8-6-4-5-7-9-17(24)25/h11-13H,4-10H2,1-3H3,(H,20,26)(H,24,25).
What are the key properties of 8-[(6-methyl-1-propan-2-ylpyrazolo[3,4-b]pyridine-4-carbonyl)amino]octanoic acid?
8-[(6-methyl-1-propan-2-ylpyrazolo[3,4-b]pyridine-4-carbonyl)amino]octanoic acid has a molecular weight of 360.46 g/mol, XLogP of 3.48, 10 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[(6-methyl-1-propan-2-ylpyrazolo[3,4-b]pyridine-4-carbonyl)amino]octanoic acid is sourced from PubChem (CID 120535674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).