N-[(1R,2R)-2-methoxy-1'-[[3-(2-methylpropyl)-1H-pyrazol-5-yl]methyl]spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]thiophene-3-carboxamide

C27H34N4O2S — CID 42170486

IUPACN-[(1R,2R)-2-methoxy-1'-[[3-(2-methylpropyl)-1H-pyrazol-5-yl]methyl]spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]thiophene-3-carboxamide
SMILESCO[C@H]1[C@H](NC(=O)c2ccsc2)c2ccccc2C12CCN(Cc1cc(CC(C)C)n[nH]1)CC2
InChIInChI=1S/C27H34N4O2S/c1-18(2)14-20-15-21(30-29-20)16-31-11-9-27(10-12-31)23-7-5-4-6-22(23)24(25(27)33-3)28-26(32)19-8-13-34-17-19/h4-8,13,15,17-18,24-25H,9-12,14,16H2,1-3H3,(H,28,32)(H,29,30)/t24-,25+/m1/s1
InChIKeyLDWFKTCDRRFFKP-RPBOFIJWSA-N
MW478.66 g/mol
LogP4.70
Rot. Bonds7

About N-[(1R,2R)-2-methoxy-1'-[[3-(2-methylpropyl)-1H-pyrazol-5-yl]methyl]spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]thiophene-3-carboxamide

N-[(1R,2R)-2-methoxy-1'-[[3-(2-methylpropyl)-1H-pyrazol-5-yl]methyl]spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]thiophene-3-carboxamide (PubChem CID 42170486) has the molecular formula C27H34N4O2S and a molecular weight of 478.66 g/mol. Its IUPAC name is N-[(1R,2R)-2-methoxy-1'-[[3-(2-methylpropyl)-1H-pyrazol-5-yl]methyl]spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]thiophene-3-carboxamide.

Molecular Properties

Compound NameN-[(1R,2R)-2-methoxy-1'-[[3-(2-methylpropyl)-1H-pyrazol-5-yl]methyl]spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]thiophene-3-carboxamide
PubChem CID42170486
Molecular FormulaC27H34N4O2S
Molecular Weight478.66 g/mol
Exact Mass478.24
IUPAC NameN-[(1R,2R)-2-methoxy-1'-[[3-(2-methylpropyl)-1H-pyrazol-5-yl]methyl]spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]thiophene-3-carboxamide
SMILESCO[C@H]1[C@H](NC(=O)c2ccsc2)c2ccccc2C12CCN(Cc1cc(CC(C)C)n[nH]1)CC2
InChIInChI=1S/C27H34N4O2S/c1-18(2)14-20-15-21(30-29-20)16-31-11-9-27(10-12-31)23-7-5-4-6-22(23)24(25(27)33-3)28-26(32)19-8-13-34-17-19/h4-8,13,15,17-18,24-25H,9-12,14,16H2,1-3H3,(H,28,32)(H,29,30)/t24-,25+/m1/s1
InChIKeyLDWFKTCDRRFFKP-RPBOFIJWSA-N
XLogP4.70
TPSA70.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500478.66
LogP ≤ 54.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(1R,2R)-2-methoxy-1'-[[3-(2-methylpropyl)-1H-pyrazol-5-yl]methyl]spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]thiophene-3-carboxamide?
The IUPAC name of N-[(1R,2R)-2-methoxy-1'-[[3-(2-methylpropyl)-1H-pyrazol-5-yl]methyl]spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]thiophene-3-carboxamide (CID 42170486) is N-[(1R,2R)-2-methoxy-1'-[[3-(2-methylpropyl)-1H-pyrazol-5-yl]methyl]spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]thiophene-3-carboxamide.
What is the SMILES notation for N-[(1R,2R)-2-methoxy-1'-[[3-(2-methylpropyl)-1H-pyrazol-5-yl]methyl]spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]thiophene-3-carboxamide?
The canonical SMILES for N-[(1R,2R)-2-methoxy-1'-[[3-(2-methylpropyl)-1H-pyrazol-5-yl]methyl]spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]thiophene-3-carboxamide is CO[C@H]1[C@H](NC(=O)c2ccsc2)c2ccccc2C12CCN(Cc1cc(CC(C)C)n[nH]1)CC2.
What is the InChIKey of N-[(1R,2R)-2-methoxy-1'-[[3-(2-methylpropyl)-1H-pyrazol-5-yl]methyl]spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]thiophene-3-carboxamide?
The InChIKey is LDWFKTCDRRFFKP-RPBOFIJWSA-N. The full InChI is InChI=1S/C27H34N4O2S/c1-18(2)14-20-15-21(30-29-20)16-31-11-9-27(10-12-31)23-7-5-4-6-22(23)24(25(27)33-3)28-26(32)19-8-13-34-17-19/h4-8,13,15,17-18,24-25H,9-12,14,16H2,1-3H3,(H,28,32)(H,29,30)/t24-,25+/m1/s1.
What are the key properties of N-[(1R,2R)-2-methoxy-1'-[[3-(2-methylpropyl)-1H-pyrazol-5-yl]methyl]spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]thiophene-3-carboxamide?
N-[(1R,2R)-2-methoxy-1'-[[3-(2-methylpropyl)-1H-pyrazol-5-yl]methyl]spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]thiophene-3-carboxamide has a molecular weight of 478.66 g/mol, XLogP of 4.70, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R,2R)-2-methoxy-1'-[[3-(2-methylpropyl)-1H-pyrazol-5-yl]methyl]spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]thiophene-3-carboxamide is sourced from PubChem (CID 42170486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).