8-(6-chloro-1H-indazol-4-yl)-2,8-diazaspiro[4.5]decan-3-one

C15H17ClN4O — CID 121326220

IUPAC8-(6-chloro-1H-indazol-4-yl)-2,8-diazaspiro[4.5]decan-3-one
SMILESO=C1CC2(CCN(c3cc(Cl)cc4[nH]ncc34)CC2)CN1
InChIInChI=1S/C15H17ClN4O/c16-10-5-12-11(8-18-19-12)13(6-10)20-3-1-15(2-4-20)7-14(21)17-9-15/h5-6,8H,1-4,7,9H2,(H,17,21)(H,18,19)
InChIKeyYNSURCMFLOEBST-UHFFFAOYSA-N
MW304.78 g/mol
LogP2.32
Rot. Bonds1

About 8-(6-chloro-1H-indazol-4-yl)-2,8-diazaspiro[4.5]decan-3-one

8-(6-chloro-1H-indazol-4-yl)-2,8-diazaspiro[4.5]decan-3-one (PubChem CID 121326220) has the molecular formula C15H17ClN4O and a molecular weight of 304.78 g/mol. Its IUPAC name is 8-(6-chloro-1H-indazol-4-yl)-2,8-diazaspiro[4.5]decan-3-one.

Molecular Properties

Compound Name8-(6-chloro-1H-indazol-4-yl)-2,8-diazaspiro[4.5]decan-3-one
PubChem CID121326220
Molecular FormulaC15H17ClN4O
Molecular Weight304.78 g/mol
Exact Mass304.11
IUPAC Name8-(6-chloro-1H-indazol-4-yl)-2,8-diazaspiro[4.5]decan-3-one
SMILESO=C1CC2(CCN(c3cc(Cl)cc4[nH]ncc34)CC2)CN1
InChIInChI=1S/C15H17ClN4O/c16-10-5-12-11(8-18-19-12)13(6-10)20-3-1-15(2-4-20)7-14(21)17-9-15/h5-6,8H,1-4,7,9H2,(H,17,21)(H,18,19)
InChIKeyYNSURCMFLOEBST-UHFFFAOYSA-N
XLogP2.32
TPSA61.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.78
LogP ≤ 52.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 8-(6-chloro-1H-indazol-4-yl)-2,8-diazaspiro[4.5]decan-3-one?
The IUPAC name of 8-(6-chloro-1H-indazol-4-yl)-2,8-diazaspiro[4.5]decan-3-one (CID 121326220) is 8-(6-chloro-1H-indazol-4-yl)-2,8-diazaspiro[4.5]decan-3-one.
What is the SMILES notation for 8-(6-chloro-1H-indazol-4-yl)-2,8-diazaspiro[4.5]decan-3-one?
The canonical SMILES for 8-(6-chloro-1H-indazol-4-yl)-2,8-diazaspiro[4.5]decan-3-one is O=C1CC2(CCN(c3cc(Cl)cc4[nH]ncc34)CC2)CN1.
What is the InChIKey of 8-(6-chloro-1H-indazol-4-yl)-2,8-diazaspiro[4.5]decan-3-one?
The InChIKey is YNSURCMFLOEBST-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17ClN4O/c16-10-5-12-11(8-18-19-12)13(6-10)20-3-1-15(2-4-20)7-14(21)17-9-15/h5-6,8H,1-4,7,9H2,(H,17,21)(H,18,19).
What are the key properties of 8-(6-chloro-1H-indazol-4-yl)-2,8-diazaspiro[4.5]decan-3-one?
8-(6-chloro-1H-indazol-4-yl)-2,8-diazaspiro[4.5]decan-3-one has a molecular weight of 304.78 g/mol, XLogP of 2.32, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(6-chloro-1H-indazol-4-yl)-2,8-diazaspiro[4.5]decan-3-one is sourced from PubChem (CID 121326220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).