N-[(1R,2R)-2-methoxyspiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide

C20H22N6O2 — CID 70718055

IUPACN-[(1R,2R)-2-methoxyspiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
SMILESCO[C@H]1[C@H](NC(=O)c2nc3ncccn3n2)c2ccccc2C12CCNCC2
InChIInChI=1S/C20H22N6O2/c1-28-16-15(23-18(27)17-24-19-22-9-4-12-26(19)25-17)13-5-2-3-6-14(13)20(16)7-10-21-11-8-20/h2-6,9,12,15-16,21H,7-8,10-11H2,1H3,(H,23,27)/t15-,16+/m1/s1
InChIKeyXVHMWGPISYPXFT-CVEARBPZSA-N
MW378.44 g/mol
LogP1.25
Rot. Bonds3

About N-[(1R,2R)-2-methoxyspiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide

N-[(1R,2R)-2-methoxyspiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide (PubChem CID 70718055) has the molecular formula C20H22N6O2 and a molecular weight of 378.44 g/mol. Its IUPAC name is N-[(1R,2R)-2-methoxyspiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide.

Molecular Properties

Compound NameN-[(1R,2R)-2-methoxyspiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
PubChem CID70718055
Molecular FormulaC20H22N6O2
Molecular Weight378.44 g/mol
Exact Mass378.18
IUPAC NameN-[(1R,2R)-2-methoxyspiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
SMILESCO[C@H]1[C@H](NC(=O)c2nc3ncccn3n2)c2ccccc2C12CCNCC2
InChIInChI=1S/C20H22N6O2/c1-28-16-15(23-18(27)17-24-19-22-9-4-12-26(19)25-17)13-5-2-3-6-14(13)20(16)7-10-21-11-8-20/h2-6,9,12,15-16,21H,7-8,10-11H2,1H3,(H,23,27)/t15-,16+/m1/s1
InChIKeyXVHMWGPISYPXFT-CVEARBPZSA-N
XLogP1.25
TPSA93.44 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.44
LogP ≤ 51.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze N-[(1R,2R)-2-methoxyspiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide with MolForge

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Related Compounds

N-[(1R,2R)-2-methoxyspiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]-2-(2-oxopyrimidin-1-yl)acetamide;hydrochloride
CID 154894928
N-[(1R,2R)-2-methoxyspiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]-1-methylpyrrole-2-carboxamide;hydrochloride
CID 154894094
N-[(1R,2R)-2-methoxyspiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]-6-methylpyridine-3-carboxamide;dihydrochloride
CID 154895204
4-fluoro-N-[(1S,2S)-2-methoxyspiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]benzamide
CID 133124703
4-methoxy-N-[(1R,2R)-2-methoxyspiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]-2-methylbenzamide;hydrochloride
CID 154895064
N-[(1S,2S)-2-methoxyspiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]-1-phenylcyclopropane-1-carboxamide
CID 133132058
N-[(1R,2R)-2-methoxyspiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]-2,4-dioxo-1H-pyrimidine-6-carboxamide;hydrochloride
CID 154893991
2-(4-hydroxyphenyl)-N-[(1S,2S)-2-methoxyspiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]acetamide
CID 133138249
N-[(1R,2R)-2-methoxyspiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]-1-phenylcyclopropane-1-carboxamide;hydrochloride
CID 154893274
2-(2-methoxyphenyl)-N-[(1S,2S)-2-methoxyspiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]acetamide
CID 133115310
2-(2,6-difluorophenyl)-N-[(1R,2R)-2-methoxyspiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]acetamide
CID 70736734
N-[(1R,2R)-2-ethoxyspiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]-4-methylpyridine-3-carboxamide
CID 56914894

Frequently Asked Questions

What is the IUPAC name of N-[(1R,2R)-2-methoxyspiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide?
The IUPAC name of N-[(1R,2R)-2-methoxyspiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide (CID 70718055) is N-[(1R,2R)-2-methoxyspiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide.
What is the SMILES notation for N-[(1R,2R)-2-methoxyspiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide?
The canonical SMILES for N-[(1R,2R)-2-methoxyspiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide is CO[C@H]1[C@H](NC(=O)c2nc3ncccn3n2)c2ccccc2C12CCNCC2.
What is the InChIKey of N-[(1R,2R)-2-methoxyspiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide?
The InChIKey is XVHMWGPISYPXFT-CVEARBPZSA-N. The full InChI is InChI=1S/C20H22N6O2/c1-28-16-15(23-18(27)17-24-19-22-9-4-12-26(19)25-17)13-5-2-3-6-14(13)20(16)7-10-21-11-8-20/h2-6,9,12,15-16,21H,7-8,10-11H2,1H3,(H,23,27)/t15-,16+/m1/s1.
What are the key properties of N-[(1R,2R)-2-methoxyspiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide?
N-[(1R,2R)-2-methoxyspiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide has a molecular weight of 378.44 g/mol, XLogP of 1.25, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R,2R)-2-methoxyspiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide is sourced from PubChem (CID 70718055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).