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

C26H34N4O2 — CID 11618934

IUPAC5-acetyl-1-benzyl-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)nn2Cc2ccccc2)C1
InChIInChI=1S/C26H34N4O2/c1-17(31)29-13-11-21-20(16-29)22(28-30(21)15-18-8-6-5-7-9-18)23(32)27-24-25(2,3)19-10-12-26(24,4)14-19/h5-9,19,24H,10-16H2,1-4H3,(H,27,32)
InChIKeyZXAUTCOFAGYGRY-UHFFFAOYSA-N
MW434.58 g/mol
LogP3.78
Rot. Bonds4

About 5-acetyl-1-benzyl-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-benzyl-N-(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide (PubChem CID 11618934) has the molecular formula C26H34N4O2 and a molecular weight of 434.58 g/mol. Its IUPAC name is 5-acetyl-1-benzyl-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-benzyl-N-(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide
PubChem CID11618934
Molecular FormulaC26H34N4O2
Molecular Weight434.58 g/mol
Exact Mass434.27
IUPAC Name5-acetyl-1-benzyl-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)nn2Cc2ccccc2)C1
InChIInChI=1S/C26H34N4O2/c1-17(31)29-13-11-21-20(16-29)22(28-30(21)15-18-8-6-5-7-9-18)23(32)27-24-25(2,3)19-10-12-26(24,4)14-19/h5-9,19,24H,10-16H2,1-4H3,(H,27,32)
InChIKeyZXAUTCOFAGYGRY-UHFFFAOYSA-N
XLogP3.78
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.58
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 5-acetyl-1-benzyl-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-benzyl-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-benzyl-N-(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide (CID 11618934) is 5-acetyl-1-benzyl-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-benzyl-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-benzyl-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)nn2Cc2ccccc2)C1.
What is the InChIKey of 5-acetyl-1-benzyl-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 ZXAUTCOFAGYGRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H34N4O2/c1-17(31)29-13-11-21-20(16-29)22(28-30(21)15-18-8-6-5-7-9-18)23(32)27-24-25(2,3)19-10-12-26(24,4)14-19/h5-9,19,24H,10-16H2,1-4H3,(H,27,32).
What are the key properties of 5-acetyl-1-benzyl-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-benzyl-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 434.58 g/mol, XLogP of 3.78, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-acetyl-1-benzyl-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 11618934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).