2-(4,5,6,7-tetrahydro-1H-indazol-5-yl)-2,9-diazaspiro[5.5]undecan-3-one

C16H24N4O — CID 70774633

IUPAC2-(4,5,6,7-tetrahydro-1H-indazol-5-yl)-2,9-diazaspiro[5.5]undecan-3-one
SMILESO=C1CCC2(CCNCC2)CN1C1CCc2[nH]ncc2C1
InChIInChI=1S/C16H24N4O/c21-15-3-4-16(5-7-17-8-6-16)11-20(15)13-1-2-14-12(9-13)10-18-19-14/h10,13,17H,1-9,11H2,(H,18,19)
InChIKeyKRKVNAYXDNVZGT-UHFFFAOYSA-N
MW288.39 g/mol
LogP1.26
Rot. Bonds1

About 2-(4,5,6,7-tetrahydro-1H-indazol-5-yl)-2,9-diazaspiro[5.5]undecan-3-one

2-(4,5,6,7-tetrahydro-1H-indazol-5-yl)-2,9-diazaspiro[5.5]undecan-3-one (PubChem CID 70774633) has the molecular formula C16H24N4O and a molecular weight of 288.39 g/mol. Its IUPAC name is 2-(4,5,6,7-tetrahydro-1H-indazol-5-yl)-2,9-diazaspiro[5.5]undecan-3-one.

Molecular Properties

Compound Name2-(4,5,6,7-tetrahydro-1H-indazol-5-yl)-2,9-diazaspiro[5.5]undecan-3-one
PubChem CID70774633
Molecular FormulaC16H24N4O
Molecular Weight288.39 g/mol
Exact Mass288.20
IUPAC Name2-(4,5,6,7-tetrahydro-1H-indazol-5-yl)-2,9-diazaspiro[5.5]undecan-3-one
SMILESO=C1CCC2(CCNCC2)CN1C1CCc2[nH]ncc2C1
InChIInChI=1S/C16H24N4O/c21-15-3-4-16(5-7-17-8-6-16)11-20(15)13-1-2-14-12(9-13)10-18-19-14/h10,13,17H,1-9,11H2,(H,18,19)
InChIKeyKRKVNAYXDNVZGT-UHFFFAOYSA-N
XLogP1.26
TPSA61.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.39
LogP ≤ 51.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(4,5,6,7-tetrahydro-1H-indazol-5-yl)-2,9-diazaspiro[5.5]undecan-3-one?
The IUPAC name of 2-(4,5,6,7-tetrahydro-1H-indazol-5-yl)-2,9-diazaspiro[5.5]undecan-3-one (CID 70774633) is 2-(4,5,6,7-tetrahydro-1H-indazol-5-yl)-2,9-diazaspiro[5.5]undecan-3-one.
What is the SMILES notation for 2-(4,5,6,7-tetrahydro-1H-indazol-5-yl)-2,9-diazaspiro[5.5]undecan-3-one?
The canonical SMILES for 2-(4,5,6,7-tetrahydro-1H-indazol-5-yl)-2,9-diazaspiro[5.5]undecan-3-one is O=C1CCC2(CCNCC2)CN1C1CCc2[nH]ncc2C1.
What is the InChIKey of 2-(4,5,6,7-tetrahydro-1H-indazol-5-yl)-2,9-diazaspiro[5.5]undecan-3-one?
The InChIKey is KRKVNAYXDNVZGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N4O/c21-15-3-4-16(5-7-17-8-6-16)11-20(15)13-1-2-14-12(9-13)10-18-19-14/h10,13,17H,1-9,11H2,(H,18,19).
What are the key properties of 2-(4,5,6,7-tetrahydro-1H-indazol-5-yl)-2,9-diazaspiro[5.5]undecan-3-one?
2-(4,5,6,7-tetrahydro-1H-indazol-5-yl)-2,9-diazaspiro[5.5]undecan-3-one has a molecular weight of 288.39 g/mol, XLogP of 1.26, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4,5,6,7-tetrahydro-1H-indazol-5-yl)-2,9-diazaspiro[5.5]undecan-3-one is sourced from PubChem (CID 70774633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).