(6-chloro-1H-indazol-7-yl)-(1,7-dimethyl-2,6-dioxa-9-azaspiro[4.5]decan-9-yl)methanone

C17H20ClN3O3 — CID 166277953

IUPAC(6-chloro-1H-indazol-7-yl)-(1,7-dimethyl-2,6-dioxa-9-azaspiro[4.5]decan-9-yl)methanone
SMILESCC1CN(C(=O)c2c(Cl)ccc3cn[nH]c23)CC2(CCOC2C)O1
InChIInChI=1S/C17H20ClN3O3/c1-10-8-21(9-17(24-10)5-6-23-11(17)2)16(22)14-13(18)4-3-12-7-19-20-15(12)14/h3-4,7,10-11H,5-6,8-9H2,1-2H3,(H,19,20)
InChIKeyNJBLFZZJMWMCCY-UHFFFAOYSA-N
MW349.82 g/mol
LogP2.62
Rot. Bonds1

About (6-chloro-1H-indazol-7-yl)-(1,7-dimethyl-2,6-dioxa-9-azaspiro[4.5]decan-9-yl)methanone

(6-chloro-1H-indazol-7-yl)-(1,7-dimethyl-2,6-dioxa-9-azaspiro[4.5]decan-9-yl)methanone (PubChem CID 166277953) has the molecular formula C17H20ClN3O3 and a molecular weight of 349.82 g/mol. Its IUPAC name is (6-chloro-1H-indazol-7-yl)-(1,7-dimethyl-2,6-dioxa-9-azaspiro[4.5]decan-9-yl)methanone.

Molecular Properties

Compound Name(6-chloro-1H-indazol-7-yl)-(1,7-dimethyl-2,6-dioxa-9-azaspiro[4.5]decan-9-yl)methanone
PubChem CID166277953
Molecular FormulaC17H20ClN3O3
Molecular Weight349.82 g/mol
Exact Mass349.12
IUPAC Name(6-chloro-1H-indazol-7-yl)-(1,7-dimethyl-2,6-dioxa-9-azaspiro[4.5]decan-9-yl)methanone
SMILESCC1CN(C(=O)c2c(Cl)ccc3cn[nH]c23)CC2(CCOC2C)O1
InChIInChI=1S/C17H20ClN3O3/c1-10-8-21(9-17(24-10)5-6-23-11(17)2)16(22)14-13(18)4-3-12-7-19-20-15(12)14/h3-4,7,10-11H,5-6,8-9H2,1-2H3,(H,19,20)
InChIKeyNJBLFZZJMWMCCY-UHFFFAOYSA-N
XLogP2.62
TPSA67.45 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.82
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (6-chloro-1H-indazol-7-yl)-(1,7-dimethyl-2,6-dioxa-9-azaspiro[4.5]decan-9-yl)methanone?
The IUPAC name of (6-chloro-1H-indazol-7-yl)-(1,7-dimethyl-2,6-dioxa-9-azaspiro[4.5]decan-9-yl)methanone (CID 166277953) is (6-chloro-1H-indazol-7-yl)-(1,7-dimethyl-2,6-dioxa-9-azaspiro[4.5]decan-9-yl)methanone.
What is the SMILES notation for (6-chloro-1H-indazol-7-yl)-(1,7-dimethyl-2,6-dioxa-9-azaspiro[4.5]decan-9-yl)methanone?
The canonical SMILES for (6-chloro-1H-indazol-7-yl)-(1,7-dimethyl-2,6-dioxa-9-azaspiro[4.5]decan-9-yl)methanone is CC1CN(C(=O)c2c(Cl)ccc3cn[nH]c23)CC2(CCOC2C)O1.
What is the InChIKey of (6-chloro-1H-indazol-7-yl)-(1,7-dimethyl-2,6-dioxa-9-azaspiro[4.5]decan-9-yl)methanone?
The InChIKey is NJBLFZZJMWMCCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20ClN3O3/c1-10-8-21(9-17(24-10)5-6-23-11(17)2)16(22)14-13(18)4-3-12-7-19-20-15(12)14/h3-4,7,10-11H,5-6,8-9H2,1-2H3,(H,19,20).
What are the key properties of (6-chloro-1H-indazol-7-yl)-(1,7-dimethyl-2,6-dioxa-9-azaspiro[4.5]decan-9-yl)methanone?
(6-chloro-1H-indazol-7-yl)-(1,7-dimethyl-2,6-dioxa-9-azaspiro[4.5]decan-9-yl)methanone has a molecular weight of 349.82 g/mol, XLogP of 2.62, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (6-chloro-1H-indazol-7-yl)-(1,7-dimethyl-2,6-dioxa-9-azaspiro[4.5]decan-9-yl)methanone is sourced from PubChem (CID 166277953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).