7-[(2R)-azetidin-2-yl]-3-(1,2,3,6-tetrahydropyridin-5-yl)-2,3,3a,4,5,6,7,7a-octahydro-1H-indazole

C15H26N4 — CID 176569201

IUPAC7-[(2R)-azetidin-2-yl]-3-(1,2,3,6-tetrahydropyridin-5-yl)-2,3,3a,4,5,6,7,7a-octahydro-1H-indazole
SMILESC1=C(C2NNC3C2CCCC3[C@H]2CCN2)CNCC1
InChIInChI=1S/C15H26N4/c1-4-11(13-6-8-17-13)15-12(5-1)14(18-19-15)10-3-2-7-16-9-10/h3,11-19H,1-2,4-9H2/t11?,12?,13-,14?,15?/m1/s1
InChIKeyQGHNZZOXFVBALU-IOCOHYSWSA-N
MW262.40 g/mol
LogP0.53
Rot. Bonds2

About 7-[(2R)-azetidin-2-yl]-3-(1,2,3,6-tetrahydropyridin-5-yl)-2,3,3a,4,5,6,7,7a-octahydro-1H-indazole

7-[(2R)-azetidin-2-yl]-3-(1,2,3,6-tetrahydropyridin-5-yl)-2,3,3a,4,5,6,7,7a-octahydro-1H-indazole (PubChem CID 176569201) has the molecular formula C15H26N4 and a molecular weight of 262.40 g/mol. Its IUPAC name is 7-[(2R)-azetidin-2-yl]-3-(1,2,3,6-tetrahydropyridin-5-yl)-2,3,3a,4,5,6,7,7a-octahydro-1H-indazole.

Molecular Properties

Compound Name7-[(2R)-azetidin-2-yl]-3-(1,2,3,6-tetrahydropyridin-5-yl)-2,3,3a,4,5,6,7,7a-octahydro-1H-indazole
PubChem CID176569201
Molecular FormulaC15H26N4
Molecular Weight262.40 g/mol
Exact Mass262.22
IUPAC Name7-[(2R)-azetidin-2-yl]-3-(1,2,3,6-tetrahydropyridin-5-yl)-2,3,3a,4,5,6,7,7a-octahydro-1H-indazole
SMILESC1=C(C2NNC3C2CCCC3[C@H]2CCN2)CNCC1
InChIInChI=1S/C15H26N4/c1-4-11(13-6-8-17-13)15-12(5-1)14(18-19-15)10-3-2-7-16-9-10/h3,11-19H,1-2,4-9H2/t11?,12?,13-,14?,15?/m1/s1
InChIKeyQGHNZZOXFVBALU-IOCOHYSWSA-N
XLogP0.53
TPSA48.12 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.40
LogP ≤ 50.53
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

4,7-difluoro-3-(1,2,3,6-tetrahydropyridin-5-yl)-2,3,3a,4,5,6,7,7a-octahydro-1H-indazole
CID 176569428
3-[(3S)-3-methyl-1,2,3,6-tetrahydropyridin-5-yl]-1,2,3,3a,4,5,6,7-octahydropyrazolo[1,5-a]pyridine
CID 176569229
3-[(3S)-3-methyl-1,2,3,6-tetrahydropyridin-5-yl]-2,3,3a,4,5,6,7,7a-octahydro-1H-indazole
CID 176569581
3-(1,2,3,6-tetrahydropyridin-5-yl)-2,3,3a,4,5,6,7,7a-octahydro-1H-indazole
CID 176569703

Frequently Asked Questions

What is the IUPAC name of 7-[(2R)-azetidin-2-yl]-3-(1,2,3,6-tetrahydropyridin-5-yl)-2,3,3a,4,5,6,7,7a-octahydro-1H-indazole?
The IUPAC name of 7-[(2R)-azetidin-2-yl]-3-(1,2,3,6-tetrahydropyridin-5-yl)-2,3,3a,4,5,6,7,7a-octahydro-1H-indazole (CID 176569201) is 7-[(2R)-azetidin-2-yl]-3-(1,2,3,6-tetrahydropyridin-5-yl)-2,3,3a,4,5,6,7,7a-octahydro-1H-indazole.
What is the SMILES notation for 7-[(2R)-azetidin-2-yl]-3-(1,2,3,6-tetrahydropyridin-5-yl)-2,3,3a,4,5,6,7,7a-octahydro-1H-indazole?
The canonical SMILES for 7-[(2R)-azetidin-2-yl]-3-(1,2,3,6-tetrahydropyridin-5-yl)-2,3,3a,4,5,6,7,7a-octahydro-1H-indazole is C1=C(C2NNC3C2CCCC3[C@H]2CCN2)CNCC1.
What is the InChIKey of 7-[(2R)-azetidin-2-yl]-3-(1,2,3,6-tetrahydropyridin-5-yl)-2,3,3a,4,5,6,7,7a-octahydro-1H-indazole?
The InChIKey is QGHNZZOXFVBALU-IOCOHYSWSA-N. The full InChI is InChI=1S/C15H26N4/c1-4-11(13-6-8-17-13)15-12(5-1)14(18-19-15)10-3-2-7-16-9-10/h3,11-19H,1-2,4-9H2/t11?,12?,13-,14?,15?/m1/s1.
What are the key properties of 7-[(2R)-azetidin-2-yl]-3-(1,2,3,6-tetrahydropyridin-5-yl)-2,3,3a,4,5,6,7,7a-octahydro-1H-indazole?
7-[(2R)-azetidin-2-yl]-3-(1,2,3,6-tetrahydropyridin-5-yl)-2,3,3a,4,5,6,7,7a-octahydro-1H-indazole has a molecular weight of 262.40 g/mol, XLogP of 0.53, 2 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[(2R)-azetidin-2-yl]-3-(1,2,3,6-tetrahydropyridin-5-yl)-2,3,3a,4,5,6,7,7a-octahydro-1H-indazole is sourced from PubChem (CID 176569201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).