3-(6-chloro-1H-indazol-4-yl)-3,10-diazaspiro[5.6]dodecan-9-one

C17H21ClN4O — CID 121326664

IUPAC3-(6-chloro-1H-indazol-4-yl)-3,10-diazaspiro[5.6]dodecan-9-one
SMILESO=C1CCC2(CCN1)CCN(c1cc(Cl)cc3[nH]ncc13)CC2
InChIInChI=1S/C17H21ClN4O/c18-12-9-14-13(11-20-21-14)15(10-12)22-7-4-17(5-8-22)2-1-16(23)19-6-3-17/h9-11H,1-8H2,(H,19,23)(H,20,21)
InChIKeySQOHYIKTKWQXQG-UHFFFAOYSA-N
MW332.83 g/mol
LogP3.10
Rot. Bonds1

About 3-(6-chloro-1H-indazol-4-yl)-3,10-diazaspiro[5.6]dodecan-9-one

3-(6-chloro-1H-indazol-4-yl)-3,10-diazaspiro[5.6]dodecan-9-one (PubChem CID 121326664) has the molecular formula C17H21ClN4O and a molecular weight of 332.83 g/mol. Its IUPAC name is 3-(6-chloro-1H-indazol-4-yl)-3,10-diazaspiro[5.6]dodecan-9-one.

Molecular Properties

Compound Name3-(6-chloro-1H-indazol-4-yl)-3,10-diazaspiro[5.6]dodecan-9-one
PubChem CID121326664
Molecular FormulaC17H21ClN4O
Molecular Weight332.83 g/mol
Exact Mass332.14
IUPAC Name3-(6-chloro-1H-indazol-4-yl)-3,10-diazaspiro[5.6]dodecan-9-one
SMILESO=C1CCC2(CCN1)CCN(c1cc(Cl)cc3[nH]ncc13)CC2
InChIInChI=1S/C17H21ClN4O/c18-12-9-14-13(11-20-21-14)15(10-12)22-7-4-17(5-8-22)2-1-16(23)19-6-3-17/h9-11H,1-8H2,(H,19,23)(H,20,21)
InChIKeySQOHYIKTKWQXQG-UHFFFAOYSA-N
XLogP3.10
TPSA61.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.83
LogP ≤ 53.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(6-chloro-1H-indazol-4-yl)-3,10-diazaspiro[5.6]dodecan-9-one?
The IUPAC name of 3-(6-chloro-1H-indazol-4-yl)-3,10-diazaspiro[5.6]dodecan-9-one (CID 121326664) is 3-(6-chloro-1H-indazol-4-yl)-3,10-diazaspiro[5.6]dodecan-9-one.
What is the SMILES notation for 3-(6-chloro-1H-indazol-4-yl)-3,10-diazaspiro[5.6]dodecan-9-one?
The canonical SMILES for 3-(6-chloro-1H-indazol-4-yl)-3,10-diazaspiro[5.6]dodecan-9-one is O=C1CCC2(CCN1)CCN(c1cc(Cl)cc3[nH]ncc13)CC2.
What is the InChIKey of 3-(6-chloro-1H-indazol-4-yl)-3,10-diazaspiro[5.6]dodecan-9-one?
The InChIKey is SQOHYIKTKWQXQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21ClN4O/c18-12-9-14-13(11-20-21-14)15(10-12)22-7-4-17(5-8-22)2-1-16(23)19-6-3-17/h9-11H,1-8H2,(H,19,23)(H,20,21).
What are the key properties of 3-(6-chloro-1H-indazol-4-yl)-3,10-diazaspiro[5.6]dodecan-9-one?
3-(6-chloro-1H-indazol-4-yl)-3,10-diazaspiro[5.6]dodecan-9-one has a molecular weight of 332.83 g/mol, XLogP of 3.10, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(6-chloro-1H-indazol-4-yl)-3,10-diazaspiro[5.6]dodecan-9-one is sourced from PubChem (CID 121326664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).