[8-(6-chloropyridazin-3-yl)-1-oxa-4,8-diazaspiro[4.5]decan-4-yl]-(4-methoxyphenyl)methanone

C19H21ClN4O3 — CID 6404595

IUPAC[8-(6-chloropyridazin-3-yl)-1-oxa-4,8-diazaspiro[4.5]decan-4-yl]-(4-methoxyphenyl)methanone
SMILESCOc1ccc(C(=O)N2CCOC23CCN(c2ccc(Cl)nn2)CC3)cc1
InChIInChI=1S/C19H21ClN4O3/c1-26-15-4-2-14(3-5-15)18(25)24-12-13-27-19(24)8-10-23(11-9-19)17-7-6-16(20)21-22-17/h2-7H,8-13H2,1H3
InChIKeyZXBUBFWRMJGGQJ-UHFFFAOYSA-N
MW388.86 g/mol
LogP2.61
Rot. Bonds3

About [8-(6-chloropyridazin-3-yl)-1-oxa-4,8-diazaspiro[4.5]decan-4-yl]-(4-methoxyphenyl)methanone

[8-(6-chloropyridazin-3-yl)-1-oxa-4,8-diazaspiro[4.5]decan-4-yl]-(4-methoxyphenyl)methanone (PubChem CID 6404595) has the molecular formula C19H21ClN4O3 and a molecular weight of 388.86 g/mol. Its IUPAC name is [8-(6-chloropyridazin-3-yl)-1-oxa-4,8-diazaspiro[4.5]decan-4-yl]-(4-methoxyphenyl)methanone.

Molecular Properties

Compound Name[8-(6-chloropyridazin-3-yl)-1-oxa-4,8-diazaspiro[4.5]decan-4-yl]-(4-methoxyphenyl)methanone
PubChem CID6404595
Molecular FormulaC19H21ClN4O3
Molecular Weight388.86 g/mol
Exact Mass388.13
IUPAC Name[8-(6-chloropyridazin-3-yl)-1-oxa-4,8-diazaspiro[4.5]decan-4-yl]-(4-methoxyphenyl)methanone
SMILESCOc1ccc(C(=O)N2CCOC23CCN(c2ccc(Cl)nn2)CC3)cc1
InChIInChI=1S/C19H21ClN4O3/c1-26-15-4-2-14(3-5-15)18(25)24-12-13-27-19(24)8-10-23(11-9-19)17-7-6-16(20)21-22-17/h2-7H,8-13H2,1H3
InChIKeyZXBUBFWRMJGGQJ-UHFFFAOYSA-N
XLogP2.61
TPSA67.79 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.86
LogP ≤ 52.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze [8-(6-chloropyridazin-3-yl)-1-oxa-4,8-diazaspiro[4.5]decan-4-yl]-(4-methoxyphenyl)methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(4-methoxyphenyl)-[4-(6-piperidin-1-ylpyridazin-3-yl)piperazin-1-yl]methanone
CID 7292395
1-oxa-4-azaspiro[4.5]decan-4-yl-(4-propan-2-yloxyphenyl)methanone
CID 46299696
2-(4-methoxyphenoxy)-1-(8-methyl-1-oxa-4,8-diazaspiro[4.5]decan-4-yl)ethanone;hydrochloride
CID 45370124
(4-methoxyphenyl)-[4-[6-(4-methylpiperidin-1-yl)pyridazin-3-yl]piperazin-1-yl]methanone
CID 121053460
(4-methoxyphenyl)-[4-[6-(1,2,4-triazol-1-yl)pyridazin-3-yl]piperazin-1-yl]methanone
CID 121145829
(4-fluorophenyl)-(1-oxa-4-azaspiro[4.5]decan-4-yl)methanone
CID 46299736
(3R)-1-(6-chloropyridazin-3-yl)-N-[[4-(4-methoxyphenyl)oxan-4-yl]methyl]piperidine-3-carboxamide
CID 96558407
[4-[4-(hydroxymethyl)benzoyl]-1-oxa-4,8-diazaspiro[4.5]decan-8-yl]-[4-(hydroxymethyl)phenyl]methanone
CID 58245552
[4-[6-(furan-2-yl)pyridazin-3-yl]piperazin-1-yl]-(4-methoxyphenyl)methanone
CID 16812511
4-(6-chloropyridazin-3-yl)-2,2-dimethylmorpholine
CID 43593162
(4-methoxyphenyl)-[4-[6-[4-(oxolan-2-ylmethyl)piperazin-1-yl]pyridazin-3-yl]piperazin-1-yl]methanone
CID 121054018
[4-(4-nitrobenzoyl)-1-oxa-4,8-diazaspiro[4.5]decan-8-yl]-(4-nitrophenyl)methanone
CID 46199252

Frequently Asked Questions

What is the IUPAC name of [8-(6-chloropyridazin-3-yl)-1-oxa-4,8-diazaspiro[4.5]decan-4-yl]-(4-methoxyphenyl)methanone?
The IUPAC name of [8-(6-chloropyridazin-3-yl)-1-oxa-4,8-diazaspiro[4.5]decan-4-yl]-(4-methoxyphenyl)methanone (CID 6404595) is [8-(6-chloropyridazin-3-yl)-1-oxa-4,8-diazaspiro[4.5]decan-4-yl]-(4-methoxyphenyl)methanone.
What is the SMILES notation for [8-(6-chloropyridazin-3-yl)-1-oxa-4,8-diazaspiro[4.5]decan-4-yl]-(4-methoxyphenyl)methanone?
The canonical SMILES for [8-(6-chloropyridazin-3-yl)-1-oxa-4,8-diazaspiro[4.5]decan-4-yl]-(4-methoxyphenyl)methanone is COc1ccc(C(=O)N2CCOC23CCN(c2ccc(Cl)nn2)CC3)cc1.
What is the InChIKey of [8-(6-chloropyridazin-3-yl)-1-oxa-4,8-diazaspiro[4.5]decan-4-yl]-(4-methoxyphenyl)methanone?
The InChIKey is ZXBUBFWRMJGGQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21ClN4O3/c1-26-15-4-2-14(3-5-15)18(25)24-12-13-27-19(24)8-10-23(11-9-19)17-7-6-16(20)21-22-17/h2-7H,8-13H2,1H3.
What are the key properties of [8-(6-chloropyridazin-3-yl)-1-oxa-4,8-diazaspiro[4.5]decan-4-yl]-(4-methoxyphenyl)methanone?
[8-(6-chloropyridazin-3-yl)-1-oxa-4,8-diazaspiro[4.5]decan-4-yl]-(4-methoxyphenyl)methanone has a molecular weight of 388.86 g/mol, XLogP of 2.61, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [8-(6-chloropyridazin-3-yl)-1-oxa-4,8-diazaspiro[4.5]decan-4-yl]-(4-methoxyphenyl)methanone is sourced from PubChem (CID 6404595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).