1,6-dimethyl-N-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)-3-oxo-2H-pyrazolo[3,4-b]pyridine-4-carboxamide

C17H20N6O2 — CID 43073922

IUPAC1,6-dimethyl-N-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)-3-oxo-2H-pyrazolo[3,4-b]pyridine-4-carboxamide
SMILESCc1cc(C(=O)NC2CCCc3c2cnn3C)c2c(=O)[nH]n(C)c2n1
InChIInChI=1S/C17H20N6O2/c1-9-7-10(14-15(19-9)23(3)21-17(14)25)16(24)20-12-5-4-6-13-11(12)8-18-22(13)2/h7-8,12H,4-6H2,1-3H3,(H,20,24)(H,21,25)
InChIKeyZZGSSHXKBRCIKJ-UHFFFAOYSA-N
MW340.39 g/mol
LogP1.11
Rot. Bonds2

About 1,6-dimethyl-N-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)-3-oxo-2H-pyrazolo[3,4-b]pyridine-4-carboxamide

1,6-dimethyl-N-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)-3-oxo-2H-pyrazolo[3,4-b]pyridine-4-carboxamide (PubChem CID 43073922) has the molecular formula C17H20N6O2 and a molecular weight of 340.39 g/mol. Its IUPAC name is 1,6-dimethyl-N-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)-3-oxo-2H-pyrazolo[3,4-b]pyridine-4-carboxamide.

Molecular Properties

Compound Name1,6-dimethyl-N-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)-3-oxo-2H-pyrazolo[3,4-b]pyridine-4-carboxamide
PubChem CID43073922
Molecular FormulaC17H20N6O2
Molecular Weight340.39 g/mol
Exact Mass340.16
IUPAC Name1,6-dimethyl-N-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)-3-oxo-2H-pyrazolo[3,4-b]pyridine-4-carboxamide
SMILESCc1cc(C(=O)NC2CCCc3c2cnn3C)c2c(=O)[nH]n(C)c2n1
InChIInChI=1S/C17H20N6O2/c1-9-7-10(14-15(19-9)23(3)21-17(14)25)16(24)20-12-5-4-6-13-11(12)8-18-22(13)2/h7-8,12H,4-6H2,1-3H3,(H,20,24)(H,21,25)
InChIKeyZZGSSHXKBRCIKJ-UHFFFAOYSA-N
XLogP1.11
TPSA97.60 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.39
LogP ≤ 51.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1,6-dimethyl-N-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)-3-oxo-2H-pyrazolo[3,4-b]pyridine-4-carboxamide?
The IUPAC name of 1,6-dimethyl-N-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)-3-oxo-2H-pyrazolo[3,4-b]pyridine-4-carboxamide (CID 43073922) is 1,6-dimethyl-N-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)-3-oxo-2H-pyrazolo[3,4-b]pyridine-4-carboxamide.
What is the SMILES notation for 1,6-dimethyl-N-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)-3-oxo-2H-pyrazolo[3,4-b]pyridine-4-carboxamide?
The canonical SMILES for 1,6-dimethyl-N-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)-3-oxo-2H-pyrazolo[3,4-b]pyridine-4-carboxamide is Cc1cc(C(=O)NC2CCCc3c2cnn3C)c2c(=O)[nH]n(C)c2n1.
What is the InChIKey of 1,6-dimethyl-N-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)-3-oxo-2H-pyrazolo[3,4-b]pyridine-4-carboxamide?
The InChIKey is ZZGSSHXKBRCIKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N6O2/c1-9-7-10(14-15(19-9)23(3)21-17(14)25)16(24)20-12-5-4-6-13-11(12)8-18-22(13)2/h7-8,12H,4-6H2,1-3H3,(H,20,24)(H,21,25).
What are the key properties of 1,6-dimethyl-N-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)-3-oxo-2H-pyrazolo[3,4-b]pyridine-4-carboxamide?
1,6-dimethyl-N-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)-3-oxo-2H-pyrazolo[3,4-b]pyridine-4-carboxamide has a molecular weight of 340.39 g/mol, XLogP of 1.11, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1,6-dimethyl-N-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)-3-oxo-2H-pyrazolo[3,4-b]pyridine-4-carboxamide is sourced from PubChem (CID 43073922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).