N-[(1R,2R)-2-methoxy-1'-[[1-(3-methylphenyl)imidazol-2-yl]methyl]spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]furan-2-carboxamide

C30H32N4O3 — CID 26350129

IUPACN-[(1R,2R)-2-methoxy-1'-[[1-(3-methylphenyl)imidazol-2-yl]methyl]spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]furan-2-carboxamide
SMILESCO[C@H]1[C@H](NC(=O)c2ccco2)c2ccccc2C12CCN(Cc1nccn1-c1cccc(C)c1)CC2
InChIInChI=1S/C30H32N4O3/c1-21-7-5-8-22(19-21)34-17-14-31-26(34)20-33-15-12-30(13-16-33)24-10-4-3-9-23(24)27(28(30)36-2)32-29(35)25-11-6-18-37-25/h3-11,14,17-19,27-28H,12-13,15-16,20H2,1-2H3,(H,32,35)/t27-,28+/m1/s1
InChIKeyYDMSRRHFVYXOPB-IZLXSDGUSA-N
MW496.61 g/mol
LogP4.81
Rot. Bonds6

About N-[(1R,2R)-2-methoxy-1'-[[1-(3-methylphenyl)imidazol-2-yl]methyl]spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]furan-2-carboxamide

N-[(1R,2R)-2-methoxy-1'-[[1-(3-methylphenyl)imidazol-2-yl]methyl]spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]furan-2-carboxamide (PubChem CID 26350129) has the molecular formula C30H32N4O3 and a molecular weight of 496.61 g/mol. Its IUPAC name is N-[(1R,2R)-2-methoxy-1'-[[1-(3-methylphenyl)imidazol-2-yl]methyl]spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[(1R,2R)-2-methoxy-1'-[[1-(3-methylphenyl)imidazol-2-yl]methyl]spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]furan-2-carboxamide
PubChem CID26350129
Molecular FormulaC30H32N4O3
Molecular Weight496.61 g/mol
Exact Mass496.25
IUPAC NameN-[(1R,2R)-2-methoxy-1'-[[1-(3-methylphenyl)imidazol-2-yl]methyl]spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]furan-2-carboxamide
SMILESCO[C@H]1[C@H](NC(=O)c2ccco2)c2ccccc2C12CCN(Cc1nccn1-c1cccc(C)c1)CC2
InChIInChI=1S/C30H32N4O3/c1-21-7-5-8-22(19-21)34-17-14-31-26(34)20-33-15-12-30(13-16-33)24-10-4-3-9-23(24)27(28(30)36-2)32-29(35)25-11-6-18-37-25/h3-11,14,17-19,27-28H,12-13,15-16,20H2,1-2H3,(H,32,35)/t27-,28+/m1/s1
InChIKeyYDMSRRHFVYXOPB-IZLXSDGUSA-N
XLogP4.81
TPSA72.53 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms37
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500496.61
LogP ≤ 54.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[(1R,2R)-2-methoxy-1'-[[1-(3-methylphenyl)imidazol-2-yl]methyl]spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]furan-2-carboxamide?
The IUPAC name of N-[(1R,2R)-2-methoxy-1'-[[1-(3-methylphenyl)imidazol-2-yl]methyl]spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]furan-2-carboxamide (CID 26350129) is N-[(1R,2R)-2-methoxy-1'-[[1-(3-methylphenyl)imidazol-2-yl]methyl]spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]furan-2-carboxamide.
What is the SMILES notation for N-[(1R,2R)-2-methoxy-1'-[[1-(3-methylphenyl)imidazol-2-yl]methyl]spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]furan-2-carboxamide?
The canonical SMILES for N-[(1R,2R)-2-methoxy-1'-[[1-(3-methylphenyl)imidazol-2-yl]methyl]spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]furan-2-carboxamide is CO[C@H]1[C@H](NC(=O)c2ccco2)c2ccccc2C12CCN(Cc1nccn1-c1cccc(C)c1)CC2.
What is the InChIKey of N-[(1R,2R)-2-methoxy-1'-[[1-(3-methylphenyl)imidazol-2-yl]methyl]spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]furan-2-carboxamide?
The InChIKey is YDMSRRHFVYXOPB-IZLXSDGUSA-N. The full InChI is InChI=1S/C30H32N4O3/c1-21-7-5-8-22(19-21)34-17-14-31-26(34)20-33-15-12-30(13-16-33)24-10-4-3-9-23(24)27(28(30)36-2)32-29(35)25-11-6-18-37-25/h3-11,14,17-19,27-28H,12-13,15-16,20H2,1-2H3,(H,32,35)/t27-,28+/m1/s1.
What are the key properties of N-[(1R,2R)-2-methoxy-1'-[[1-(3-methylphenyl)imidazol-2-yl]methyl]spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]furan-2-carboxamide?
N-[(1R,2R)-2-methoxy-1'-[[1-(3-methylphenyl)imidazol-2-yl]methyl]spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]furan-2-carboxamide has a molecular weight of 496.61 g/mol, XLogP of 4.81, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R,2R)-2-methoxy-1'-[[1-(3-methylphenyl)imidazol-2-yl]methyl]spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]furan-2-carboxamide is sourced from PubChem (CID 26350129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).