N-cyclohexyl-N-cyclopropyl-3-methyl-2H-pyrazolo[3,4-b]pyridine-5-carboxamide

C17H22N4O — CID 47789841

IUPACN-cyclohexyl-N-cyclopropyl-3-methyl-2H-pyrazolo[3,4-b]pyridine-5-carboxamide
SMILESCc1[nH]nc2ncc(C(=O)N(C3CCCCC3)C3CC3)cc12
InChIInChI=1S/C17H22N4O/c1-11-15-9-12(10-18-16(15)20-19-11)17(22)21(14-7-8-14)13-5-3-2-4-6-13/h9-10,13-14H,2-8H2,1H3,(H,18,19,20)
InChIKeyDJXNWZNXPNVYKL-UHFFFAOYSA-N
MW298.39 g/mol
LogP3.20
Rot. Bonds3

About N-cyclohexyl-N-cyclopropyl-3-methyl-2H-pyrazolo[3,4-b]pyridine-5-carboxamide

N-cyclohexyl-N-cyclopropyl-3-methyl-2H-pyrazolo[3,4-b]pyridine-5-carboxamide (PubChem CID 47789841) has the molecular formula C17H22N4O and a molecular weight of 298.39 g/mol. Its IUPAC name is N-cyclohexyl-N-cyclopropyl-3-methyl-2H-pyrazolo[3,4-b]pyridine-5-carboxamide.

Molecular Properties

Compound NameN-cyclohexyl-N-cyclopropyl-3-methyl-2H-pyrazolo[3,4-b]pyridine-5-carboxamide
PubChem CID47789841
Molecular FormulaC17H22N4O
Molecular Weight298.39 g/mol
Exact Mass298.18
IUPAC NameN-cyclohexyl-N-cyclopropyl-3-methyl-2H-pyrazolo[3,4-b]pyridine-5-carboxamide
SMILESCc1[nH]nc2ncc(C(=O)N(C3CCCCC3)C3CC3)cc12
InChIInChI=1S/C17H22N4O/c1-11-15-9-12(10-18-16(15)20-19-11)17(22)21(14-7-8-14)13-5-3-2-4-6-13/h9-10,13-14H,2-8H2,1H3,(H,18,19,20)
InChIKeyDJXNWZNXPNVYKL-UHFFFAOYSA-N
XLogP3.20
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.39
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-N-cyclopropyl-3-methyl-2H-pyrazolo[3,4-b]pyridine-5-carboxamide?
The IUPAC name of N-cyclohexyl-N-cyclopropyl-3-methyl-2H-pyrazolo[3,4-b]pyridine-5-carboxamide (CID 47789841) is N-cyclohexyl-N-cyclopropyl-3-methyl-2H-pyrazolo[3,4-b]pyridine-5-carboxamide.
What is the SMILES notation for N-cyclohexyl-N-cyclopropyl-3-methyl-2H-pyrazolo[3,4-b]pyridine-5-carboxamide?
The canonical SMILES for N-cyclohexyl-N-cyclopropyl-3-methyl-2H-pyrazolo[3,4-b]pyridine-5-carboxamide is Cc1[nH]nc2ncc(C(=O)N(C3CCCCC3)C3CC3)cc12.
What is the InChIKey of N-cyclohexyl-N-cyclopropyl-3-methyl-2H-pyrazolo[3,4-b]pyridine-5-carboxamide?
The InChIKey is DJXNWZNXPNVYKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4O/c1-11-15-9-12(10-18-16(15)20-19-11)17(22)21(14-7-8-14)13-5-3-2-4-6-13/h9-10,13-14H,2-8H2,1H3,(H,18,19,20).
What are the key properties of N-cyclohexyl-N-cyclopropyl-3-methyl-2H-pyrazolo[3,4-b]pyridine-5-carboxamide?
N-cyclohexyl-N-cyclopropyl-3-methyl-2H-pyrazolo[3,4-b]pyridine-5-carboxamide has a molecular weight of 298.39 g/mol, XLogP of 3.20, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-N-cyclopropyl-3-methyl-2H-pyrazolo[3,4-b]pyridine-5-carboxamide is sourced from PubChem (CID 47789841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).