3-[(1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carbonyl)amino]pyridine-2-carboxylic acid

C16H15N5O3 — CID 167884691

IUPAC3-[(1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carbonyl)amino]pyridine-2-carboxylic acid
SMILESCC(C)n1ncc2cc(C(=O)Nc3cccnc3C(=O)O)cnc21
InChIInChI=1S/C16H15N5O3/c1-9(2)21-14-10(8-19-21)6-11(7-18-14)15(22)20-12-4-3-5-17-13(12)16(23)24/h3-9H,1-2H3,(H,20,22)(H,23,24)
InChIKeyKSFVNXQQYRUYLU-UHFFFAOYSA-N
MW325.33 g/mol
LogP2.36
Rot. Bonds4

About 3-[(1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carbonyl)amino]pyridine-2-carboxylic acid

3-[(1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carbonyl)amino]pyridine-2-carboxylic acid (PubChem CID 167884691) has the molecular formula C16H15N5O3 and a molecular weight of 325.33 g/mol. Its IUPAC name is 3-[(1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carbonyl)amino]pyridine-2-carboxylic acid.

Molecular Properties

Compound Name3-[(1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carbonyl)amino]pyridine-2-carboxylic acid
PubChem CID167884691
Molecular FormulaC16H15N5O3
Molecular Weight325.33 g/mol
Exact Mass325.12
IUPAC Name3-[(1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carbonyl)amino]pyridine-2-carboxylic acid
SMILESCC(C)n1ncc2cc(C(=O)Nc3cccnc3C(=O)O)cnc21
InChIInChI=1S/C16H15N5O3/c1-9(2)21-14-10(8-19-21)6-11(7-18-14)15(22)20-12-4-3-5-17-13(12)16(23)24/h3-9H,1-2H3,(H,20,22)(H,23,24)
InChIKeyKSFVNXQQYRUYLU-UHFFFAOYSA-N
XLogP2.36
TPSA110.00 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.33
LogP ≤ 52.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-(2-methoxyphenyl)-1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carboxamide
CID 24583509
1-propan-2-yl-N'-(pyridine-3-carbonyl)pyrazolo[3,4-b]pyridine-5-carbohydrazide
CID 42157844
N-(5-tert-butyl-2-hydroxyphenyl)-1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carboxamide
CID 46679706
N-(4-bromo-2-chlorophenyl)-1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carboxamide
CID 24586062
N-(5-chloro-2-piperidin-1-ylphenyl)-1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carboxamide
CID 16581633
N-(5-methyl-1,3,4-thiadiazol-2-yl)-1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carboxamide
CID 16581596
N-(6-phenylsulfanyl-2,3-dihydro-1,4-benzodioxin-7-yl)-1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carboxamide
CID 51132978
N-(3-cyanophenyl)-1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carboxamide
CID 42160130
2-methyl-3-[4-[(1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carbonyl)amino]phenyl]propanoic acid
CID 120541413
N-(6-piperidin-1-yl-3-pyridinyl)-1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carboxamide
CID 24601888
N-(4-phenyl-5-propan-2-yl-1,3-thiazol-2-yl)-1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carboxamide
CID 55688821
N'-(4-fluorobenzoyl)-1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carbohydrazide
CID 46523701

Frequently Asked Questions

What is the IUPAC name of 3-[(1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carbonyl)amino]pyridine-2-carboxylic acid?
The IUPAC name of 3-[(1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carbonyl)amino]pyridine-2-carboxylic acid (CID 167884691) is 3-[(1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carbonyl)amino]pyridine-2-carboxylic acid.
What is the SMILES notation for 3-[(1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carbonyl)amino]pyridine-2-carboxylic acid?
The canonical SMILES for 3-[(1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carbonyl)amino]pyridine-2-carboxylic acid is CC(C)n1ncc2cc(C(=O)Nc3cccnc3C(=O)O)cnc21.
What is the InChIKey of 3-[(1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carbonyl)amino]pyridine-2-carboxylic acid?
The InChIKey is KSFVNXQQYRUYLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N5O3/c1-9(2)21-14-10(8-19-21)6-11(7-18-14)15(22)20-12-4-3-5-17-13(12)16(23)24/h3-9H,1-2H3,(H,20,22)(H,23,24).
What are the key properties of 3-[(1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carbonyl)amino]pyridine-2-carboxylic acid?
3-[(1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carbonyl)amino]pyridine-2-carboxylic acid has a molecular weight of 325.33 g/mol, XLogP of 2.36, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carbonyl)amino]pyridine-2-carboxylic acid is sourced from PubChem (CID 167884691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).