(1R,2R)-1-(4-pyrimidin-5-yltriazol-1-yl)spiro[1,2-dihydroindene-3,4'-piperidine]-2-ol

C19H20N6O — CID 56911561

IUPAC(1R,2R)-1-(4-pyrimidin-5-yltriazol-1-yl)spiro[1,2-dihydroindene-3,4'-piperidine]-2-ol
SMILESO[C@H]1[C@H](n2cc(-c3cncnc3)nn2)c2ccccc2C12CCNCC2
InChIInChI=1S/C19H20N6O/c26-18-17(25-11-16(23-24-25)13-9-21-12-22-10-13)14-3-1-2-4-15(14)19(18)5-7-20-8-6-19/h1-4,9-12,17-18,20,26H,5-8H2/t17-,18+/m1/s1
InChIKeyXGWQJXAHNMDYTI-MSOLQXFVSA-N
MW348.41 g/mol
LogP1.32
Rot. Bonds2

About (1R,2R)-1-(4-pyrimidin-5-yltriazol-1-yl)spiro[1,2-dihydroindene-3,4'-piperidine]-2-ol

(1R,2R)-1-(4-pyrimidin-5-yltriazol-1-yl)spiro[1,2-dihydroindene-3,4'-piperidine]-2-ol (PubChem CID 56911561) has the molecular formula C19H20N6O and a molecular weight of 348.41 g/mol. Its IUPAC name is (1R,2R)-1-(4-pyrimidin-5-yltriazol-1-yl)spiro[1,2-dihydroindene-3,4'-piperidine]-2-ol.

Molecular Properties

Compound Name(1R,2R)-1-(4-pyrimidin-5-yltriazol-1-yl)spiro[1,2-dihydroindene-3,4'-piperidine]-2-ol
PubChem CID56911561
Molecular FormulaC19H20N6O
Molecular Weight348.41 g/mol
Exact Mass348.17
IUPAC Name(1R,2R)-1-(4-pyrimidin-5-yltriazol-1-yl)spiro[1,2-dihydroindene-3,4'-piperidine]-2-ol
SMILESO[C@H]1[C@H](n2cc(-c3cncnc3)nn2)c2ccccc2C12CCNCC2
InChIInChI=1S/C19H20N6O/c26-18-17(25-11-16(23-24-25)13-9-21-12-22-10-13)14-3-1-2-4-15(14)19(18)5-7-20-8-6-19/h1-4,9-12,17-18,20,26H,5-8H2/t17-,18+/m1/s1
InChIKeyXGWQJXAHNMDYTI-MSOLQXFVSA-N
XLogP1.32
TPSA88.75 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.41
LogP ≤ 51.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of (1R,2R)-1-(4-pyrimidin-5-yltriazol-1-yl)spiro[1,2-dihydroindene-3,4'-piperidine]-2-ol?
The IUPAC name of (1R,2R)-1-(4-pyrimidin-5-yltriazol-1-yl)spiro[1,2-dihydroindene-3,4'-piperidine]-2-ol (CID 56911561) is (1R,2R)-1-(4-pyrimidin-5-yltriazol-1-yl)spiro[1,2-dihydroindene-3,4'-piperidine]-2-ol.
What is the SMILES notation for (1R,2R)-1-(4-pyrimidin-5-yltriazol-1-yl)spiro[1,2-dihydroindene-3,4'-piperidine]-2-ol?
The canonical SMILES for (1R,2R)-1-(4-pyrimidin-5-yltriazol-1-yl)spiro[1,2-dihydroindene-3,4'-piperidine]-2-ol is O[C@H]1[C@H](n2cc(-c3cncnc3)nn2)c2ccccc2C12CCNCC2.
What is the InChIKey of (1R,2R)-1-(4-pyrimidin-5-yltriazol-1-yl)spiro[1,2-dihydroindene-3,4'-piperidine]-2-ol?
The InChIKey is XGWQJXAHNMDYTI-MSOLQXFVSA-N. The full InChI is InChI=1S/C19H20N6O/c26-18-17(25-11-16(23-24-25)13-9-21-12-22-10-13)14-3-1-2-4-15(14)19(18)5-7-20-8-6-19/h1-4,9-12,17-18,20,26H,5-8H2/t17-,18+/m1/s1.
What are the key properties of (1R,2R)-1-(4-pyrimidin-5-yltriazol-1-yl)spiro[1,2-dihydroindene-3,4'-piperidine]-2-ol?
(1R,2R)-1-(4-pyrimidin-5-yltriazol-1-yl)spiro[1,2-dihydroindene-3,4'-piperidine]-2-ol has a molecular weight of 348.41 g/mol, XLogP of 1.32, 2 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2R)-1-(4-pyrimidin-5-yltriazol-1-yl)spiro[1,2-dihydroindene-3,4'-piperidine]-2-ol is sourced from PubChem (CID 56911561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).