N-[(1R,2R)-1'-[(5-cyclohexyl-1H-pyrazol-4-yl)methyl]-2-methoxyspiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]furan-2-carboxamide

C29H36N4O3 — CID 42431441

About N-[(1R,2R)-1'-[(5-cyclohexyl-1H-pyrazol-4-yl)methyl]-2-methoxyspiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]furan-2-carboxamide

N-[(1R,2R)-1'-[(5-cyclohexyl-1H-pyrazol-4-yl)methyl]-2-methoxyspiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]furan-2-carboxamide (PubChem CID 42431441) has the molecular formula C29H36N4O3 and a molecular weight of 488.63 g/mol. Its IUPAC name is N-[(1R,2R)-1'-[(5-cyclohexyl-1H-pyrazol-4-yl)methyl]-2-methoxyspiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]furan-2-carboxamide.

Molecular Properties

• Compound Name: N-[(1R,2R)-1'-[(5-cyclohexyl-1H-pyrazol-4-yl)methyl]-2-methoxyspiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]furan-2-carboxamide
• PubChem CID: 42431441
• Molecular Formula: C29H36N4O3
• Molecular Weight: 488.63 g/mol
• Exact Mass: 488.28
• IUPAC Name: N-[(1R,2R)-1'-[(5-cyclohexyl-1H-pyrazol-4-yl)methyl]-2-methoxyspiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]furan-2-carboxamide
• SMILES: CO[C@H]1[C@H](NC(=O)c2ccco2)c2ccccc2C12CCN(Cc1cn[nH]c1C1CCCCC1)CC2
• InChI: InChI=1S/C29H36N4O3/c1-35-27-26(31-28(34)24-12-7-17-36-24)22-10-5-6-11-23(22)29(27)13-15-33(16-14-29)19-21-18-30-32-25(21)20-8-3-2-4-9-20/h5-7,10-12,17-18,20,26-27H,2-4,8-9,13-16,19H2,1H3,(H,30,32)(H,31,34)/t26-,27+/m1/s1
• InChIKey: MDTQFSCATWURRN-SXOMAYOGSA-N
• XLogP: 5.08
• TPSA: 83.39 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	488.63
LogP ≤ 5	5.08
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of N-[(1R,2R)-1'-[(5-cyclohexyl-1H-pyrazol-4-yl)methyl]-2-methoxyspiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]furan-2-carboxamide?

The IUPAC name of N-[(1R,2R)-1'-[(5-cyclohexyl-1H-pyrazol-4-yl)methyl]-2-methoxyspiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]furan-2-carboxamide (CID 42431441) is N-[(1R,2R)-1'-[(5-cyclohexyl-1H-pyrazol-4-yl)methyl]-2-methoxyspiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]furan-2-carboxamide.

What is the SMILES notation for N-[(1R,2R)-1'-[(5-cyclohexyl-1H-pyrazol-4-yl)methyl]-2-methoxyspiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]furan-2-carboxamide?

The canonical SMILES for N-[(1R,2R)-1'-[(5-cyclohexyl-1H-pyrazol-4-yl)methyl]-2-methoxyspiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]furan-2-carboxamide is CO[C@H]1[C@H](NC(=O)c2ccco2)c2ccccc2C12CCN(Cc1cn[nH]c1C1CCCCC1)CC2.

What is the InChIKey of N-[(1R,2R)-1'-[(5-cyclohexyl-1H-pyrazol-4-yl)methyl]-2-methoxyspiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]furan-2-carboxamide?

The InChIKey is MDTQFSCATWURRN-SXOMAYOGSA-N. The full InChI is InChI=1S/C29H36N4O3/c1-35-27-26(31-28(34)24-12-7-17-36-24)22-10-5-6-11-23(22)29(27)13-15-33(16-14-29)19-21-18-30-32-25(21)20-8-3-2-4-9-20/h5-7,10-12,17-18,20,26-27H,2-4,8-9,13-16,19H2,1H3,(H,30,32)(H,31,34)/t26-,27+/m1/s1.

What are the key properties of N-[(1R,2R)-1'-[(5-cyclohexyl-1H-pyrazol-4-yl)methyl]-2-methoxyspiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]furan-2-carboxamide?

N-[(1R,2R)-1'-[(5-cyclohexyl-1H-pyrazol-4-yl)methyl]-2-methoxyspiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]furan-2-carboxamide has a molecular weight of 488.63 g/mol, XLogP of 5.08, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(1R,2R)-1'-[(5-cyclohexyl-1H-pyrazol-4-yl)methyl]-2-methoxyspiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]furan-2-carboxamide is sourced from PubChem (CID 42431441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).