N-(3-cyclohexyloxypropyl)-6-cyclopropyl-1,3-dimethylpyrazolo[5,4-b]pyridine-4-carboxamide

C21H30N4O2 — CID 30755491

IUPACN-(3-cyclohexyloxypropyl)-6-cyclopropyl-1,3-dimethylpyrazolo[5,4-b]pyridine-4-carboxamide
SMILESCc1nn(C)c2nc(C3CC3)cc(C(=O)NCCCOC3CCCCC3)c12
InChIInChI=1S/C21H30N4O2/c1-14-19-17(13-18(15-9-10-15)23-20(19)25(2)24-14)21(26)22-11-6-12-27-16-7-4-3-5-8-16/h13,15-16H,3-12H2,1-2H3,(H,22,26)
InChIKeyJFDTUBPENAHEJD-UHFFFAOYSA-N
MW370.50 g/mol
LogP3.62
Rot. Bonds7

About N-(3-cyclohexyloxypropyl)-6-cyclopropyl-1,3-dimethylpyrazolo[5,4-b]pyridine-4-carboxamide

N-(3-cyclohexyloxypropyl)-6-cyclopropyl-1,3-dimethylpyrazolo[5,4-b]pyridine-4-carboxamide (PubChem CID 30755491) has the molecular formula C21H30N4O2 and a molecular weight of 370.50 g/mol. Its IUPAC name is N-(3-cyclohexyloxypropyl)-6-cyclopropyl-1,3-dimethylpyrazolo[5,4-b]pyridine-4-carboxamide.

Molecular Properties

Compound NameN-(3-cyclohexyloxypropyl)-6-cyclopropyl-1,3-dimethylpyrazolo[5,4-b]pyridine-4-carboxamide
PubChem CID30755491
Molecular FormulaC21H30N4O2
Molecular Weight370.50 g/mol
Exact Mass370.24
IUPAC NameN-(3-cyclohexyloxypropyl)-6-cyclopropyl-1,3-dimethylpyrazolo[5,4-b]pyridine-4-carboxamide
SMILESCc1nn(C)c2nc(C3CC3)cc(C(=O)NCCCOC3CCCCC3)c12
InChIInChI=1S/C21H30N4O2/c1-14-19-17(13-18(15-9-10-15)23-20(19)25(2)24-14)21(26)22-11-6-12-27-16-7-4-3-5-8-16/h13,15-16H,3-12H2,1-2H3,(H,22,26)
InChIKeyJFDTUBPENAHEJD-UHFFFAOYSA-N
XLogP3.62
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.50
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(3-cyclohexyloxypropyl)-6-cyclopropyl-1,3-dimethylpyrazolo[5,4-b]pyridine-4-carboxamide?
The IUPAC name of N-(3-cyclohexyloxypropyl)-6-cyclopropyl-1,3-dimethylpyrazolo[5,4-b]pyridine-4-carboxamide (CID 30755491) is N-(3-cyclohexyloxypropyl)-6-cyclopropyl-1,3-dimethylpyrazolo[5,4-b]pyridine-4-carboxamide.
What is the SMILES notation for N-(3-cyclohexyloxypropyl)-6-cyclopropyl-1,3-dimethylpyrazolo[5,4-b]pyridine-4-carboxamide?
The canonical SMILES for N-(3-cyclohexyloxypropyl)-6-cyclopropyl-1,3-dimethylpyrazolo[5,4-b]pyridine-4-carboxamide is Cc1nn(C)c2nc(C3CC3)cc(C(=O)NCCCOC3CCCCC3)c12.
What is the InChIKey of N-(3-cyclohexyloxypropyl)-6-cyclopropyl-1,3-dimethylpyrazolo[5,4-b]pyridine-4-carboxamide?
The InChIKey is JFDTUBPENAHEJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H30N4O2/c1-14-19-17(13-18(15-9-10-15)23-20(19)25(2)24-14)21(26)22-11-6-12-27-16-7-4-3-5-8-16/h13,15-16H,3-12H2,1-2H3,(H,22,26).
What are the key properties of N-(3-cyclohexyloxypropyl)-6-cyclopropyl-1,3-dimethylpyrazolo[5,4-b]pyridine-4-carboxamide?
N-(3-cyclohexyloxypropyl)-6-cyclopropyl-1,3-dimethylpyrazolo[5,4-b]pyridine-4-carboxamide has a molecular weight of 370.50 g/mol, XLogP of 3.62, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-cyclohexyloxypropyl)-6-cyclopropyl-1,3-dimethylpyrazolo[5,4-b]pyridine-4-carboxamide is sourced from PubChem (CID 30755491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).