4-cyclohexyl-N,2-dimethylpyrazolo[4,3-b]indole-7-carboxamide

C18H22N4O — CID 157037278

IUPAC4-cyclohexyl-N,2-dimethylpyrazolo[4,3-b]indole-7-carboxamide
SMILESCNC(=O)c1ccc2c(c1)c1nn(C)cc1n2C1CCCCC1
InChIInChI=1S/C18H22N4O/c1-19-18(23)12-8-9-15-14(10-12)17-16(11-21(2)20-17)22(15)13-6-4-3-5-7-13/h8-11,13H,3-7H2,1-2H3,(H,19,23)
InChIKeyWKIFRSNKOCEHED-UHFFFAOYSA-N
MW310.40 g/mol
LogP3.39
Rot. Bonds2

About 4-cyclohexyl-N,2-dimethylpyrazolo[4,3-b]indole-7-carboxamide

4-cyclohexyl-N,2-dimethylpyrazolo[4,3-b]indole-7-carboxamide (PubChem CID 157037278) has the molecular formula C18H22N4O and a molecular weight of 310.40 g/mol. Its IUPAC name is 4-cyclohexyl-N,2-dimethylpyrazolo[4,3-b]indole-7-carboxamide.

Molecular Properties

Compound Name4-cyclohexyl-N,2-dimethylpyrazolo[4,3-b]indole-7-carboxamide
PubChem CID157037278
Molecular FormulaC18H22N4O
Molecular Weight310.40 g/mol
Exact Mass310.18
IUPAC Name4-cyclohexyl-N,2-dimethylpyrazolo[4,3-b]indole-7-carboxamide
SMILESCNC(=O)c1ccc2c(c1)c1nn(C)cc1n2C1CCCCC1
InChIInChI=1S/C18H22N4O/c1-19-18(23)12-8-9-15-14(10-12)17-16(11-21(2)20-17)22(15)13-6-4-3-5-7-13/h8-11,13H,3-7H2,1-2H3,(H,19,23)
InChIKeyWKIFRSNKOCEHED-UHFFFAOYSA-N
XLogP3.39
TPSA51.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.40
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-cyclohexyl-N,2-dimethylpyrazolo[4,3-b]indole-7-carboxamide?
The IUPAC name of 4-cyclohexyl-N,2-dimethylpyrazolo[4,3-b]indole-7-carboxamide (CID 157037278) is 4-cyclohexyl-N,2-dimethylpyrazolo[4,3-b]indole-7-carboxamide.
What is the SMILES notation for 4-cyclohexyl-N,2-dimethylpyrazolo[4,3-b]indole-7-carboxamide?
The canonical SMILES for 4-cyclohexyl-N,2-dimethylpyrazolo[4,3-b]indole-7-carboxamide is CNC(=O)c1ccc2c(c1)c1nn(C)cc1n2C1CCCCC1.
What is the InChIKey of 4-cyclohexyl-N,2-dimethylpyrazolo[4,3-b]indole-7-carboxamide?
The InChIKey is WKIFRSNKOCEHED-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N4O/c1-19-18(23)12-8-9-15-14(10-12)17-16(11-21(2)20-17)22(15)13-6-4-3-5-7-13/h8-11,13H,3-7H2,1-2H3,(H,19,23).
What are the key properties of 4-cyclohexyl-N,2-dimethylpyrazolo[4,3-b]indole-7-carboxamide?
4-cyclohexyl-N,2-dimethylpyrazolo[4,3-b]indole-7-carboxamide has a molecular weight of 310.40 g/mol, XLogP of 3.39, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclohexyl-N,2-dimethylpyrazolo[4,3-b]indole-7-carboxamide is sourced from PubChem (CID 157037278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).