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

C27H36N4O2 — CID 11662342

IUPAC1-benzyl-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)nn2Cc2ccccc2)C1
InChIInChI=1S/C27H36N4O2/c1-5-22(32)30-14-12-21-20(17-30)23(29-31(21)16-18-9-7-6-8-10-18)24(33)28-25-26(2,3)19-11-13-27(25,4)15-19/h6-10,19,25H,5,11-17H2,1-4H3,(H,28,33)
InChIKeyXLYISMONGTXIMX-UHFFFAOYSA-N
MW448.61 g/mol
LogP4.17
Rot. Bonds5

About 1-benzyl-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-benzyl-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 11662342) has the molecular formula C27H36N4O2 and a molecular weight of 448.61 g/mol. Its IUPAC name is 1-benzyl-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-benzyl-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 CID11662342
Molecular FormulaC27H36N4O2
Molecular Weight448.61 g/mol
Exact Mass448.28
IUPAC Name1-benzyl-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)nn2Cc2ccccc2)C1
InChIInChI=1S/C27H36N4O2/c1-5-22(32)30-14-12-21-20(17-30)23(29-31(21)16-18-9-7-6-8-10-18)24(33)28-25-26(2,3)19-11-13-27(25,4)15-19/h6-10,19,25H,5,11-17H2,1-4H3,(H,28,33)
InChIKeyXLYISMONGTXIMX-UHFFFAOYSA-N
XLogP4.17
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.61
LogP ≤ 54.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-benzyl-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-benzyl-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-benzyl-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 11662342) is 1-benzyl-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-benzyl-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-benzyl-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)nn2Cc2ccccc2)C1.
What is the InChIKey of 1-benzyl-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 XLYISMONGTXIMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H36N4O2/c1-5-22(32)30-14-12-21-20(17-30)23(29-31(21)16-18-9-7-6-8-10-18)24(33)28-25-26(2,3)19-11-13-27(25,4)15-19/h6-10,19,25H,5,11-17H2,1-4H3,(H,28,33).
What are the key properties of 1-benzyl-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-benzyl-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 448.61 g/mol, XLogP of 4.17, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-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 11662342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).