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

C26H40N4O2 — CID 11503093

IUPAC1-cyclohexyl-5-propanoyl-N-(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide
SMILESCCC(=O)N1CCc2c(c(C(=O)NC3C4(C)CCC(C4)C3(C)C)nn2C2CCCCC2)C1
InChIInChI=1S/C26H40N4O2/c1-5-21(31)29-14-12-20-19(16-29)22(28-30(20)18-9-7-6-8-10-18)23(32)27-24-25(2,3)17-11-13-26(24,4)15-17/h17-18,24H,5-16H2,1-4H3,(H,27,32)
InChIKeyHLWXMLHVCCVXDK-UHFFFAOYSA-N
MW440.63 g/mol
LogP4.63
Rot. Bonds4

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

1-cyclohexyl-5-propanoyl-N-(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide (PubChem CID 11503093) has the molecular formula C26H40N4O2 and a molecular weight of 440.63 g/mol. Its IUPAC name is 1-cyclohexyl-5-propanoyl-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 Name1-cyclohexyl-5-propanoyl-N-(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide
PubChem CID11503093
Molecular FormulaC26H40N4O2
Molecular Weight440.63 g/mol
Exact Mass440.32
IUPAC Name1-cyclohexyl-5-propanoyl-N-(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide
SMILESCCC(=O)N1CCc2c(c(C(=O)NC3C4(C)CCC(C4)C3(C)C)nn2C2CCCCC2)C1
InChIInChI=1S/C26H40N4O2/c1-5-21(31)29-14-12-20-19(16-29)22(28-30(20)18-9-7-6-8-10-18)23(32)27-24-25(2,3)17-11-13-26(24,4)15-17/h17-18,24H,5-16H2,1-4H3,(H,27,32)
InChIKeyHLWXMLHVCCVXDK-UHFFFAOYSA-N
XLogP4.63
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.63
LogP ≤ 54.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-cyclohexyl-5-propanoyl-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 1-cyclohexyl-5-propanoyl-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 1-cyclohexyl-5-propanoyl-N-(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide (CID 11503093) is 1-cyclohexyl-5-propanoyl-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 1-cyclohexyl-5-propanoyl-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 1-cyclohexyl-5-propanoyl-N-(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide is CCC(=O)N1CCc2c(c(C(=O)NC3C4(C)CCC(C4)C3(C)C)nn2C2CCCCC2)C1.
What is the InChIKey of 1-cyclohexyl-5-propanoyl-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 HLWXMLHVCCVXDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H40N4O2/c1-5-21(31)29-14-12-20-19(16-29)22(28-30(20)18-9-7-6-8-10-18)23(32)27-24-25(2,3)17-11-13-26(24,4)15-17/h17-18,24H,5-16H2,1-4H3,(H,27,32).
What are the key properties of 1-cyclohexyl-5-propanoyl-N-(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide?
1-cyclohexyl-5-propanoyl-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 440.63 g/mol, XLogP of 4.63, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-5-propanoyl-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 11503093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).