5-acetyl-1-cyclohexyl-N-(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide

C25H38N4O2 — CID 11676255

IUPAC5-acetyl-1-cyclohexyl-N-(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide
SMILESCC(=O)N1CCc2c(c(C(=O)NC3C4(C)CCC(C4)C3(C)C)nn2C2CCCCC2)C1
InChIInChI=1S/C25H38N4O2/c1-16(30)28-13-11-20-19(15-28)21(27-29(20)18-8-6-5-7-9-18)22(31)26-23-24(2,3)17-10-12-25(23,4)14-17/h17-18,23H,5-15H2,1-4H3,(H,26,31)
InChIKeyDOYPOERTGPYYHV-UHFFFAOYSA-N
MW426.61 g/mol
LogP4.24
Rot. Bonds3

About 5-acetyl-1-cyclohexyl-N-(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide

5-acetyl-1-cyclohexyl-N-(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide (PubChem CID 11676255) has the molecular formula C25H38N4O2 and a molecular weight of 426.61 g/mol. Its IUPAC name is 5-acetyl-1-cyclohexyl-N-(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide.

Molecular Properties

Compound Name5-acetyl-1-cyclohexyl-N-(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide
PubChem CID11676255
Molecular FormulaC25H38N4O2
Molecular Weight426.61 g/mol
Exact Mass426.30
IUPAC Name5-acetyl-1-cyclohexyl-N-(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide
SMILESCC(=O)N1CCc2c(c(C(=O)NC3C4(C)CCC(C4)C3(C)C)nn2C2CCCCC2)C1
InChIInChI=1S/C25H38N4O2/c1-16(30)28-13-11-20-19(15-28)21(27-29(20)18-8-6-5-7-9-18)22(31)26-23-24(2,3)17-10-12-25(23,4)14-17/h17-18,23H,5-15H2,1-4H3,(H,26,31)
InChIKeyDOYPOERTGPYYHV-UHFFFAOYSA-N
XLogP4.24
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.61
LogP ≤ 54.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 5-acetyl-1-cyclohexyl-N-(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 5-acetyl-1-cyclohexyl-N-(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide?
The IUPAC name of 5-acetyl-1-cyclohexyl-N-(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide (CID 11676255) is 5-acetyl-1-cyclohexyl-N-(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide.
What is the SMILES notation for 5-acetyl-1-cyclohexyl-N-(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide?
The canonical SMILES for 5-acetyl-1-cyclohexyl-N-(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide is CC(=O)N1CCc2c(c(C(=O)NC3C4(C)CCC(C4)C3(C)C)nn2C2CCCCC2)C1.
What is the InChIKey of 5-acetyl-1-cyclohexyl-N-(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide?
The InChIKey is DOYPOERTGPYYHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H38N4O2/c1-16(30)28-13-11-20-19(15-28)21(27-29(20)18-8-6-5-7-9-18)22(31)26-23-24(2,3)17-10-12-25(23,4)14-17/h17-18,23H,5-15H2,1-4H3,(H,26,31).
What are the key properties of 5-acetyl-1-cyclohexyl-N-(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide?
5-acetyl-1-cyclohexyl-N-(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide has a molecular weight of 426.61 g/mol, XLogP of 4.24, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-acetyl-1-cyclohexyl-N-(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide is sourced from PubChem (CID 11676255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).