1H-indazol-4-yl(9-oxa-6-azaspiro[4.5]decan-6-yl)methanone

C16H19N3O2 — CID 127688821

IUPAC1H-indazol-4-yl(9-oxa-6-azaspiro[4.5]decan-6-yl)methanone
SMILESO=C(c1cccc2[nH]ncc12)N1CCOCC12CCCC2
InChIInChI=1S/C16H19N3O2/c20-15(12-4-3-5-14-13(12)10-17-18-14)19-8-9-21-11-16(19)6-1-2-7-16/h3-5,10H,1-2,6-9,11H2,(H,17,18)
InChIKeyDOQRNXCGVSRKRO-UHFFFAOYSA-N
MW285.35 g/mol
LogP2.35
Rot. Bonds1

About 1H-indazol-4-yl(9-oxa-6-azaspiro[4.5]decan-6-yl)methanone

1H-indazol-4-yl(9-oxa-6-azaspiro[4.5]decan-6-yl)methanone (PubChem CID 127688821) has the molecular formula C16H19N3O2 and a molecular weight of 285.35 g/mol. Its IUPAC name is 1H-indazol-4-yl(9-oxa-6-azaspiro[4.5]decan-6-yl)methanone.

Molecular Properties

Compound Name1H-indazol-4-yl(9-oxa-6-azaspiro[4.5]decan-6-yl)methanone
PubChem CID127688821
Molecular FormulaC16H19N3O2
Molecular Weight285.35 g/mol
Exact Mass285.15
IUPAC Name1H-indazol-4-yl(9-oxa-6-azaspiro[4.5]decan-6-yl)methanone
SMILESO=C(c1cccc2[nH]ncc12)N1CCOCC12CCCC2
InChIInChI=1S/C16H19N3O2/c20-15(12-4-3-5-14-13(12)10-17-18-14)19-8-9-21-11-16(19)6-1-2-7-16/h3-5,10H,1-2,6-9,11H2,(H,17,18)
InChIKeyDOQRNXCGVSRKRO-UHFFFAOYSA-N
XLogP2.35
TPSA58.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.35
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1H-indazol-4-yl(9-oxa-6-azaspiro[4.5]decan-6-yl)methanone?
The IUPAC name of 1H-indazol-4-yl(9-oxa-6-azaspiro[4.5]decan-6-yl)methanone (CID 127688821) is 1H-indazol-4-yl(9-oxa-6-azaspiro[4.5]decan-6-yl)methanone.
What is the SMILES notation for 1H-indazol-4-yl(9-oxa-6-azaspiro[4.5]decan-6-yl)methanone?
The canonical SMILES for 1H-indazol-4-yl(9-oxa-6-azaspiro[4.5]decan-6-yl)methanone is O=C(c1cccc2[nH]ncc12)N1CCOCC12CCCC2.
What is the InChIKey of 1H-indazol-4-yl(9-oxa-6-azaspiro[4.5]decan-6-yl)methanone?
The InChIKey is DOQRNXCGVSRKRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O2/c20-15(12-4-3-5-14-13(12)10-17-18-14)19-8-9-21-11-16(19)6-1-2-7-16/h3-5,10H,1-2,6-9,11H2,(H,17,18).
What are the key properties of 1H-indazol-4-yl(9-oxa-6-azaspiro[4.5]decan-6-yl)methanone?
1H-indazol-4-yl(9-oxa-6-azaspiro[4.5]decan-6-yl)methanone has a molecular weight of 285.35 g/mol, XLogP of 2.35, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1H-indazol-4-yl(9-oxa-6-azaspiro[4.5]decan-6-yl)methanone is sourced from PubChem (CID 127688821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).