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

C23H26N4O2S — CID 42164818

IUPACN-[(1R,2R)-2-methoxy-1'-(1H-pyrazol-5-ylmethyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]thiophene-2-carboxamide
SMILESCO[C@H]1[C@H](NC(=O)c2cccs2)c2ccccc2C12CCN(Cc1ccn[nH]1)CC2
InChIInChI=1S/C23H26N4O2S/c1-29-21-20(25-22(28)19-7-4-14-30-19)17-5-2-3-6-18(17)23(21)9-12-27(13-10-23)15-16-8-11-24-26-16/h2-8,11,14,20-21H,9-10,12-13,15H2,1H3,(H,24,26)(H,25,28)/t20-,21+/m1/s1
InChIKeyLGUOOFZSTFYPAR-RTWAWAEBSA-N
MW422.55 g/mol
LogP3.50
Rot. Bonds5

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

N-[(1R,2R)-2-methoxy-1'-(1H-pyrazol-5-ylmethyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]thiophene-2-carboxamide (PubChem CID 42164818) has the molecular formula C23H26N4O2S and a molecular weight of 422.55 g/mol. Its IUPAC name is N-[(1R,2R)-2-methoxy-1'-(1H-pyrazol-5-ylmethyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[(1R,2R)-2-methoxy-1'-(1H-pyrazol-5-ylmethyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]thiophene-2-carboxamide
PubChem CID42164818
Molecular FormulaC23H26N4O2S
Molecular Weight422.55 g/mol
Exact Mass422.18
IUPAC NameN-[(1R,2R)-2-methoxy-1'-(1H-pyrazol-5-ylmethyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]thiophene-2-carboxamide
SMILESCO[C@H]1[C@H](NC(=O)c2cccs2)c2ccccc2C12CCN(Cc1ccn[nH]1)CC2
InChIInChI=1S/C23H26N4O2S/c1-29-21-20(25-22(28)19-7-4-14-30-19)17-5-2-3-6-18(17)23(21)9-12-27(13-10-23)15-16-8-11-24-26-16/h2-8,11,14,20-21H,9-10,12-13,15H2,1H3,(H,24,26)(H,25,28)/t20-,21+/m1/s1
InChIKeyLGUOOFZSTFYPAR-RTWAWAEBSA-N
XLogP3.50
TPSA70.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.55
LogP ≤ 53.50
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'-(1H-pyrazol-5-ylmethyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]thiophene-2-carboxamide?
The IUPAC name of N-[(1R,2R)-2-methoxy-1'-(1H-pyrazol-5-ylmethyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]thiophene-2-carboxamide (CID 42164818) is N-[(1R,2R)-2-methoxy-1'-(1H-pyrazol-5-ylmethyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]thiophene-2-carboxamide.
What is the SMILES notation for N-[(1R,2R)-2-methoxy-1'-(1H-pyrazol-5-ylmethyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]thiophene-2-carboxamide?
The canonical SMILES for N-[(1R,2R)-2-methoxy-1'-(1H-pyrazol-5-ylmethyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]thiophene-2-carboxamide is CO[C@H]1[C@H](NC(=O)c2cccs2)c2ccccc2C12CCN(Cc1ccn[nH]1)CC2.
What is the InChIKey of N-[(1R,2R)-2-methoxy-1'-(1H-pyrazol-5-ylmethyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]thiophene-2-carboxamide?
The InChIKey is LGUOOFZSTFYPAR-RTWAWAEBSA-N. The full InChI is InChI=1S/C23H26N4O2S/c1-29-21-20(25-22(28)19-7-4-14-30-19)17-5-2-3-6-18(17)23(21)9-12-27(13-10-23)15-16-8-11-24-26-16/h2-8,11,14,20-21H,9-10,12-13,15H2,1H3,(H,24,26)(H,25,28)/t20-,21+/m1/s1.
What are the key properties of N-[(1R,2R)-2-methoxy-1'-(1H-pyrazol-5-ylmethyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]thiophene-2-carboxamide?
N-[(1R,2R)-2-methoxy-1'-(1H-pyrazol-5-ylmethyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]thiophene-2-carboxamide has a molecular weight of 422.55 g/mol, XLogP of 3.50, 5 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'-(1H-pyrazol-5-ylmethyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]thiophene-2-carboxamide is sourced from PubChem (CID 42164818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).