ethyl 1-cyclohexyl-3-[(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)carbamoyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxylate

C26H40N4O3 — CID 11583368

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

ethyl 1-cyclohexyl-3-[(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)carbamoyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxylate (PubChem CID 11583368) has the molecular formula C26H40N4O3 and a molecular weight of 456.63 g/mol. Its IUPAC name is ethyl 1-cyclohexyl-3-[(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)carbamoyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxylate.

Molecular Properties

• Compound Name: ethyl 1-cyclohexyl-3-[(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)carbamoyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxylate
• PubChem CID: 11583368
• Molecular Formula: C26H40N4O3
• Molecular Weight: 456.63 g/mol
• Exact Mass: 456.31
• IUPAC Name: ethyl 1-cyclohexyl-3-[(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)carbamoyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxylate
• SMILES: CCOC(=O)N1CCc2c(c(C(=O)NC3C4(C)CCC(C4)C3(C)C)nn2C2CCCCC2)C1
• InChI: InChI=1S/C26H40N4O3/c1-5-33-24(32)29-14-12-20-19(16-29)21(28-30(20)18-9-7-6-8-10-18)22(31)27-23-25(2,3)17-11-13-26(23,4)15-17/h17-18,23H,5-16H2,1-4H3,(H,27,31)
• InChIKey: CPWGMZKOUCWLDH-UHFFFAOYSA-N
• XLogP: 4.85
• TPSA: 76.46 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 4
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	456.63
LogP ≤ 5	4.85
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of ethyl 1-cyclohexyl-3-[(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)carbamoyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxylate?

The IUPAC name of ethyl 1-cyclohexyl-3-[(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)carbamoyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxylate (CID 11583368) is ethyl 1-cyclohexyl-3-[(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)carbamoyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxylate.

What is the SMILES notation for ethyl 1-cyclohexyl-3-[(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)carbamoyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxylate?

The canonical SMILES for ethyl 1-cyclohexyl-3-[(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)carbamoyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxylate is CCOC(=O)N1CCc2c(c(C(=O)NC3C4(C)CCC(C4)C3(C)C)nn2C2CCCCC2)C1.

What is the InChIKey of ethyl 1-cyclohexyl-3-[(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)carbamoyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxylate?

The InChIKey is CPWGMZKOUCWLDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H40N4O3/c1-5-33-24(32)29-14-12-20-19(16-29)21(28-30(20)18-9-7-6-8-10-18)22(31)27-23-25(2,3)17-11-13-26(23,4)15-17/h17-18,23H,5-16H2,1-4H3,(H,27,31).

What are the key properties of ethyl 1-cyclohexyl-3-[(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)carbamoyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxylate?

ethyl 1-cyclohexyl-3-[(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)carbamoyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxylate has a molecular weight of 456.63 g/mol, XLogP of 4.85, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for ethyl 1-cyclohexyl-3-[(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)carbamoyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxylate is sourced from PubChem (CID 11583368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).