(1R,2R)-1-(4-pyridin-3-yltriazol-1-yl)spiro[1,2-dihydroindene-3,4'-piperidine]-2-ol

C20H21N5O — CID 56887458

IUPAC(1R,2R)-1-(4-pyridin-3-yltriazol-1-yl)spiro[1,2-dihydroindene-3,4'-piperidine]-2-ol
SMILESO[C@H]1[C@H](n2cc(-c3cccnc3)nn2)c2ccccc2C12CCNCC2
InChIInChI=1S/C20H21N5O/c26-19-18(25-13-17(23-24-25)14-4-3-9-22-12-14)15-5-1-2-6-16(15)20(19)7-10-21-11-8-20/h1-6,9,12-13,18-19,21,26H,7-8,10-11H2/t18-,19+/m1/s1
InChIKeyCEDUMMVQPBKPSC-MOPGFXCFSA-N
MW347.42 g/mol
LogP1.93
Rot. Bonds2

About (1R,2R)-1-(4-pyridin-3-yltriazol-1-yl)spiro[1,2-dihydroindene-3,4'-piperidine]-2-ol

(1R,2R)-1-(4-pyridin-3-yltriazol-1-yl)spiro[1,2-dihydroindene-3,4'-piperidine]-2-ol (PubChem CID 56887458) has the molecular formula C20H21N5O and a molecular weight of 347.42 g/mol. Its IUPAC name is (1R,2R)-1-(4-pyridin-3-yltriazol-1-yl)spiro[1,2-dihydroindene-3,4'-piperidine]-2-ol.

Molecular Properties

Compound Name(1R,2R)-1-(4-pyridin-3-yltriazol-1-yl)spiro[1,2-dihydroindene-3,4'-piperidine]-2-ol
PubChem CID56887458
Molecular FormulaC20H21N5O
Molecular Weight347.42 g/mol
Exact Mass347.17
IUPAC Name(1R,2R)-1-(4-pyridin-3-yltriazol-1-yl)spiro[1,2-dihydroindene-3,4'-piperidine]-2-ol
SMILESO[C@H]1[C@H](n2cc(-c3cccnc3)nn2)c2ccccc2C12CCNCC2
InChIInChI=1S/C20H21N5O/c26-19-18(25-13-17(23-24-25)14-4-3-9-22-12-14)15-5-1-2-6-16(15)20(19)7-10-21-11-8-20/h1-6,9,12-13,18-19,21,26H,7-8,10-11H2/t18-,19+/m1/s1
InChIKeyCEDUMMVQPBKPSC-MOPGFXCFSA-N
XLogP1.93
TPSA75.86 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.42
LogP ≤ 51.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze (1R,2R)-1-(4-pyridin-3-yltriazol-1-yl)spiro[1,2-dihydroindene-3,4'-piperidine]-2-ol with MolForge

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Related Compounds

rel-(2R,3R)-3-[4-(1-pyrrolidinylmethyl)-1H-1,2,3-triazol-1-yl]-2,3-dihydrospiro[indene-1,4'-piperidin]-2-ol dihydrochloride
CID 56915415
rel-(2R,3R)-3-[4-(1-amino-1-methylethyl)-1H-1,2,3-triazol-1-yl]-2,3-dihydrospiro[indene-1,4'-piperidin]-2-ol dihydrochloride
CID 56882897
(1R,2R)-1-(4-pyridin-2-yltriazol-1-yl)spiro[1,2-dihydroindene-3,4'-piperidine]-2-ol
CID 56887071
(1R,2R)-1-(2-pyrazin-2-ylethylamino)spiro[1,2-dihydroindene-3,4'-piperidine]-2-ol
CID 56896045
rel-(2R,3R)-3-[4-(methoxymethyl)-1H-1,2,3-triazol-1-yl]-2,3-dihydrospiro[indene-1,4'-piperidin]-2-ol hydrochloride
CID 56903714
(1R,2R)-1-[4-(hydroxymethyl)triazol-1-yl]spiro[1,2-dihydroindene-3,4'-piperidine]-2-ol
CID 56907035
rel-(2R,3R)-3-(4-phenyl-1H-1,2,3-triazol-1-yl)-2,3-dihydrospiro[indene-1,4'-piperidin]-2-ol hydrochloride
CID 56907437
(1R,2R)-1-(4-pyrimidin-5-yltriazol-1-yl)spiro[1,2-dihydroindene-3,4'-piperidine]-2-ol
CID 56911561
(1R,2R)-1-(2-pyridin-2-ylethylamino)spiro[1,2-dihydroindene-3,4'-piperidine]-2-ol
CID 56913814
rel-(2R,3R)-3-[4-(3-fluorophenyl)-1H-1,2,3-triazol-1-yl]-2,3-dihydrospiro[indene-1,4'-piperidin]-2-ol hydrochloride
CID 56914199
1'-[(1-phenyl-1H-1,2,3-triazol-4-yl)methyl]-2,3-dihydrospiro[indene-1,4'-piperidin]-2-ol
CID 56910455
rel-(2R,3R)-3-[4-(4-fluorophenyl)-1H-1,2,3-triazol-1-yl]-2,3-dihydrospiro[indene-1,4'-piperidin]-2-ol hydrochloride
CID 56891899

Frequently Asked Questions

What is the IUPAC name of (1R,2R)-1-(4-pyridin-3-yltriazol-1-yl)spiro[1,2-dihydroindene-3,4'-piperidine]-2-ol?
The IUPAC name of (1R,2R)-1-(4-pyridin-3-yltriazol-1-yl)spiro[1,2-dihydroindene-3,4'-piperidine]-2-ol (CID 56887458) is (1R,2R)-1-(4-pyridin-3-yltriazol-1-yl)spiro[1,2-dihydroindene-3,4'-piperidine]-2-ol.
What is the SMILES notation for (1R,2R)-1-(4-pyridin-3-yltriazol-1-yl)spiro[1,2-dihydroindene-3,4'-piperidine]-2-ol?
The canonical SMILES for (1R,2R)-1-(4-pyridin-3-yltriazol-1-yl)spiro[1,2-dihydroindene-3,4'-piperidine]-2-ol is O[C@H]1[C@H](n2cc(-c3cccnc3)nn2)c2ccccc2C12CCNCC2.
What is the InChIKey of (1R,2R)-1-(4-pyridin-3-yltriazol-1-yl)spiro[1,2-dihydroindene-3,4'-piperidine]-2-ol?
The InChIKey is CEDUMMVQPBKPSC-MOPGFXCFSA-N. The full InChI is InChI=1S/C20H21N5O/c26-19-18(25-13-17(23-24-25)14-4-3-9-22-12-14)15-5-1-2-6-16(15)20(19)7-10-21-11-8-20/h1-6,9,12-13,18-19,21,26H,7-8,10-11H2/t18-,19+/m1/s1.
What are the key properties of (1R,2R)-1-(4-pyridin-3-yltriazol-1-yl)spiro[1,2-dihydroindene-3,4'-piperidine]-2-ol?
(1R,2R)-1-(4-pyridin-3-yltriazol-1-yl)spiro[1,2-dihydroindene-3,4'-piperidine]-2-ol has a molecular weight of 347.42 g/mol, XLogP of 1.93, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2R)-1-(4-pyridin-3-yltriazol-1-yl)spiro[1,2-dihydroindene-3,4'-piperidine]-2-ol is sourced from PubChem (CID 56887458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).