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

C23H26N4O2S — CID 126462847

IUPACN-[(1R,2R)-2-methoxy-1'-(1H-pyrazol-5-ylmethyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]thiophene-3-carboxamide
SMILESCO[C@H]1[C@H](NC(=O)c2ccsc2)c2ccccc2C12CCN(Cc1ccn[nH]1)CC2
InChIInChI=1S/C23H26N4O2S/c1-29-21-20(25-22(28)16-7-13-30-15-16)18-4-2-3-5-19(18)23(21)8-11-27(12-9-23)14-17-6-10-24-26-17/h2-7,10,13,15,20-21H,8-9,11-12,14H2,1H3,(H,24,26)(H,25,28)/t20-,21+/m1/s1
InChIKeyVOZXWYYKFQAWHP-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-3-carboxamide

N-[(1R,2R)-2-methoxy-1'-(1H-pyrazol-5-ylmethyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]thiophene-3-carboxamide (PubChem CID 126462847) 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-3-carboxamide.

Molecular Properties

Compound NameN-[(1R,2R)-2-methoxy-1'-(1H-pyrazol-5-ylmethyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]thiophene-3-carboxamide
PubChem CID126462847
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-3-carboxamide
SMILESCO[C@H]1[C@H](NC(=O)c2ccsc2)c2ccccc2C12CCN(Cc1ccn[nH]1)CC2
InChIInChI=1S/C23H26N4O2S/c1-29-21-20(25-22(28)16-7-13-30-15-16)18-4-2-3-5-19(18)23(21)8-11-27(12-9-23)14-17-6-10-24-26-17/h2-7,10,13,15,20-21H,8-9,11-12,14H2,1H3,(H,24,26)(H,25,28)/t20-,21+/m1/s1
InChIKeyVOZXWYYKFQAWHP-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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Related Compounds

N-{(2R*,3R*)-1'-[(1,5-dimethyl-1H-pyrazol-4-yl)methyl]-2-methoxy-2,3-dihydrospiro[indene-1,4'-piperidin]-3-yl}-3-thiophenecarboxamide
CID 42318057
N-[(1R,2R)-1'-[[5-(3-fluorophenyl)-1H-pyrazol-4-yl]methyl]-2-methoxyspiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]-2-methylsulfanylacetamide
CID 42164775
N-[(1R,2R)-1'-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]-2-methoxyspiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]-2-methylsulfanylacetamide
CID 42276577
N-{(2R*,3R*)-1'-[(1-ethyl-3,5-dimethyl-1H-pyrazol-4-yl)methyl]-2-methoxy-2,3-dihydrospiro[indene-1,4'-piperidin]-3-yl}-2-thiophenecarboxamide
CID 42344250
N-[(1R,2R)-2-methoxy-1'-[(3-propan-2-yl-1H-pyrazol-5-yl)methyl]spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]-2-methylsulfanylacetamide
CID 42483483
N-[(1R,2R)-2-methoxy-1'-(1H-pyrazol-5-ylmethyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]propanamide
CID 126466910
N-{(2R*,3R*)-1'-[(1-ethyl-3,5-dimethyl-1H-pyrazol-4-yl)methyl]-2-methoxy-2,3-dihydrospiro[indene-1,4'-piperidin]-3-yl}-2-(2-thienyl)acetamide
CID 26279704
(2R*,3R*)-1'-(1H-pyrazol-3-ylcarbonyl)-3-(4-thiomorpholinyl)-2,3-dihydrospiro[indene-1,4'-piperidin]-2-ol
CID 28954635
N-[(2R*,3R*)-2-methoxy-1'-(1H-pyrazol-3-ylmethyl)-2,3-dihydrospiro[indene-1,4'-piperidin]-3-yl]-2-thiophenecarboxamide
CID 42164818
N-{(2R*,3R*)-1'-[(5-isopropyl-1H-pyrazol-3-yl)methyl]-2-methoxy-2,3-dihydrospiro[indene-1,4'-piperidin]-3-yl}-2-(2-thienyl)acetamide
CID 42165398
N-{(2R*,3R*)-1'-[(5-isobutyl-1H-pyrazol-3-yl)methyl]-2-methoxy-2,3-dihydrospiro[indene-1,4'-piperidin]-3-yl}-3-thiophenecarboxamide
CID 42170486
N-{(2R*,3R*)-1'-[(1-isopropyl-3,5-dimethyl-1H-pyrazol-4-yl)methyl]-2-methoxy-2,3-dihydrospiro[indene-1,4'-piperidin]-3-yl}-3-thiophenecarboxamide
CID 42246300

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-3-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-3-carboxamide (CID 126462847) is N-[(1R,2R)-2-methoxy-1'-(1H-pyrazol-5-ylmethyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]thiophene-3-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-3-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-3-carboxamide is CO[C@H]1[C@H](NC(=O)c2ccsc2)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-3-carboxamide?
The InChIKey is VOZXWYYKFQAWHP-RTWAWAEBSA-N. The full InChI is InChI=1S/C23H26N4O2S/c1-29-21-20(25-22(28)16-7-13-30-15-16)18-4-2-3-5-19(18)23(21)8-11-27(12-9-23)14-17-6-10-24-26-17/h2-7,10,13,15,20-21H,8-9,11-12,14H2,1H3,(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-3-carboxamide?
N-[(1R,2R)-2-methoxy-1'-(1H-pyrazol-5-ylmethyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]thiophene-3-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-3-carboxamide is sourced from PubChem (CID 126462847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).