N-(2,6-dimethylcyclohexyl)-6-methyl-1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carboxamide

C19H28N4O — CID 78853012

IUPACN-(2,6-dimethylcyclohexyl)-6-methyl-1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carboxamide
SMILESCc1nc2c(cnn2C(C)C)cc1C(=O)NC1C(C)CCCC1C
InChIInChI=1S/C19H28N4O/c1-11(2)23-18-15(10-20-23)9-16(14(5)21-18)19(24)22-17-12(3)7-6-8-13(17)4/h9-13,17H,6-8H2,1-5H3,(H,22,24)
InChIKeyHTWWXIGWBGQTLM-UHFFFAOYSA-N
MW328.46 g/mol
LogP3.88
Rot. Bonds3

About N-(2,6-dimethylcyclohexyl)-6-methyl-1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carboxamide

N-(2,6-dimethylcyclohexyl)-6-methyl-1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carboxamide (PubChem CID 78853012) has the molecular formula C19H28N4O and a molecular weight of 328.46 g/mol. Its IUPAC name is N-(2,6-dimethylcyclohexyl)-6-methyl-1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carboxamide.

Molecular Properties

Compound NameN-(2,6-dimethylcyclohexyl)-6-methyl-1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carboxamide
PubChem CID78853012
Molecular FormulaC19H28N4O
Molecular Weight328.46 g/mol
Exact Mass328.23
IUPAC NameN-(2,6-dimethylcyclohexyl)-6-methyl-1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carboxamide
SMILESCc1nc2c(cnn2C(C)C)cc1C(=O)NC1C(C)CCCC1C
InChIInChI=1S/C19H28N4O/c1-11(2)23-18-15(10-20-23)9-16(14(5)21-18)19(24)22-17-12(3)7-6-8-13(17)4/h9-13,17H,6-8H2,1-5H3,(H,22,24)
InChIKeyHTWWXIGWBGQTLM-UHFFFAOYSA-N
XLogP3.88
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.46
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(2,6-dimethylcyclohexyl)-6-methyl-1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carboxamide?
The IUPAC name of N-(2,6-dimethylcyclohexyl)-6-methyl-1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carboxamide (CID 78853012) is N-(2,6-dimethylcyclohexyl)-6-methyl-1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carboxamide.
What is the SMILES notation for N-(2,6-dimethylcyclohexyl)-6-methyl-1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carboxamide?
The canonical SMILES for N-(2,6-dimethylcyclohexyl)-6-methyl-1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carboxamide is Cc1nc2c(cnn2C(C)C)cc1C(=O)NC1C(C)CCCC1C.
What is the InChIKey of N-(2,6-dimethylcyclohexyl)-6-methyl-1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carboxamide?
The InChIKey is HTWWXIGWBGQTLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N4O/c1-11(2)23-18-15(10-20-23)9-16(14(5)21-18)19(24)22-17-12(3)7-6-8-13(17)4/h9-13,17H,6-8H2,1-5H3,(H,22,24).
What are the key properties of N-(2,6-dimethylcyclohexyl)-6-methyl-1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carboxamide?
N-(2,6-dimethylcyclohexyl)-6-methyl-1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carboxamide has a molecular weight of 328.46 g/mol, XLogP of 3.88, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,6-dimethylcyclohexyl)-6-methyl-1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carboxamide is sourced from PubChem (CID 78853012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).