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

C23H36N4O3 — CID 11575274

IUPACmethyl 1-butyl-3-[(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)carbamoyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxylate
SMILESCCCCn1nc(C(=O)NC2C3(C)CCC(C3)C2(C)C)c2c1CCN(C(=O)OC)C2
InChIInChI=1S/C23H36N4O3/c1-6-7-11-27-17-9-12-26(21(29)30-5)14-16(17)18(25-27)19(28)24-20-22(2,3)15-8-10-23(20,4)13-15/h15,20H,6-14H2,1-5H3,(H,24,28)
InChIKeyYRZVZKPUCIJSRB-UHFFFAOYSA-N
MW416.57 g/mol
LogP3.75
Rot. Bonds5

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

methyl 1-butyl-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 11575274) has the molecular formula C23H36N4O3 and a molecular weight of 416.57 g/mol. Its IUPAC name is methyl 1-butyl-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 Namemethyl 1-butyl-3-[(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)carbamoyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxylate
PubChem CID11575274
Molecular FormulaC23H36N4O3
Molecular Weight416.57 g/mol
Exact Mass416.28
IUPAC Namemethyl 1-butyl-3-[(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)carbamoyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxylate
SMILESCCCCn1nc(C(=O)NC2C3(C)CCC(C3)C2(C)C)c2c1CCN(C(=O)OC)C2
InChIInChI=1S/C23H36N4O3/c1-6-7-11-27-17-9-12-26(21(29)30-5)14-16(17)18(25-27)19(28)24-20-22(2,3)15-8-10-23(20,4)13-15/h15,20H,6-14H2,1-5H3,(H,24,28)
InChIKeyYRZVZKPUCIJSRB-UHFFFAOYSA-N
XLogP3.75
TPSA76.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.57
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze methyl 1-butyl-3-[(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)carbamoyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxylate with MolForge

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Frequently Asked Questions

What is the IUPAC name of methyl 1-butyl-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 methyl 1-butyl-3-[(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)carbamoyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxylate (CID 11575274) is methyl 1-butyl-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 methyl 1-butyl-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 methyl 1-butyl-3-[(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)carbamoyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxylate is CCCCn1nc(C(=O)NC2C3(C)CCC(C3)C2(C)C)c2c1CCN(C(=O)OC)C2.
What is the InChIKey of methyl 1-butyl-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 YRZVZKPUCIJSRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H36N4O3/c1-6-7-11-27-17-9-12-26(21(29)30-5)14-16(17)18(25-27)19(28)24-20-22(2,3)15-8-10-23(20,4)13-15/h15,20H,6-14H2,1-5H3,(H,24,28).
What are the key properties of methyl 1-butyl-3-[(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)carbamoyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxylate?
methyl 1-butyl-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 416.57 g/mol, XLogP of 3.75, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-butyl-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 11575274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).