[7-[[2-chloro-4-(1,3-thiazol-2-yl)phenyl]methyl]-2,7-diazaspiro[4.4]nonan-2-yl]-[4-(dimethylamino)pyrazol-1-yl]methanone

C23H27ClN6OS — CID 145316045

IUPAC[7-[[2-chloro-4-(1,3-thiazol-2-yl)phenyl]methyl]-2,7-diazaspiro[4.4]nonan-2-yl]-[4-(dimethylamino)pyrazol-1-yl]methanone
SMILESCN(C)c1cnn(C(=O)N2CCC3(CCN(Cc4ccc(-c5nccs5)cc4Cl)C3)C2)c1
InChIInChI=1S/C23H27ClN6OS/c1-27(2)19-12-26-30(14-19)22(31)29-9-6-23(16-29)5-8-28(15-23)13-18-4-3-17(11-20(18)24)21-25-7-10-32-21/h3-4,7,10-12,14H,5-6,8-9,13,15-16H2,1-2H3
InChIKeyDYZJPUNTBCFJTH-UHFFFAOYSA-N
MW471.03 g/mol
LogP4.29
Rot. Bonds4

About [7-[[2-chloro-4-(1,3-thiazol-2-yl)phenyl]methyl]-2,7-diazaspiro[4.4]nonan-2-yl]-[4-(dimethylamino)pyrazol-1-yl]methanone

[7-[[2-chloro-4-(1,3-thiazol-2-yl)phenyl]methyl]-2,7-diazaspiro[4.4]nonan-2-yl]-[4-(dimethylamino)pyrazol-1-yl]methanone (PubChem CID 145316045) has the molecular formula C23H27ClN6OS and a molecular weight of 471.03 g/mol. Its IUPAC name is [7-[[2-chloro-4-(1,3-thiazol-2-yl)phenyl]methyl]-2,7-diazaspiro[4.4]nonan-2-yl]-[4-(dimethylamino)pyrazol-1-yl]methanone.

Molecular Properties

Compound Name[7-[[2-chloro-4-(1,3-thiazol-2-yl)phenyl]methyl]-2,7-diazaspiro[4.4]nonan-2-yl]-[4-(dimethylamino)pyrazol-1-yl]methanone
PubChem CID145316045
Molecular FormulaC23H27ClN6OS
Molecular Weight471.03 g/mol
Exact Mass470.17
IUPAC Name[7-[[2-chloro-4-(1,3-thiazol-2-yl)phenyl]methyl]-2,7-diazaspiro[4.4]nonan-2-yl]-[4-(dimethylamino)pyrazol-1-yl]methanone
SMILESCN(C)c1cnn(C(=O)N2CCC3(CCN(Cc4ccc(-c5nccs5)cc4Cl)C3)C2)c1
InChIInChI=1S/C23H27ClN6OS/c1-27(2)19-12-26-30(14-19)22(31)29-9-6-23(16-29)5-8-28(15-23)13-18-4-3-17(11-20(18)24)21-25-7-10-32-21/h3-4,7,10-12,14H,5-6,8-9,13,15-16H2,1-2H3
InChIKeyDYZJPUNTBCFJTH-UHFFFAOYSA-N
XLogP4.29
TPSA57.50 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500471.03
LogP ≤ 54.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze [7-[[2-chloro-4-(1,3-thiazol-2-yl)phenyl]methyl]-2,7-diazaspiro[4.4]nonan-2-yl]-[4-(dimethylamino)pyrazol-1-yl]methanone with MolForge

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Related Compounds

acetaldehyde;[7-[[2-chloro-4-(1,3-thiazol-2-yl)phenyl]methyl]-2,7-diazaspiro[4.4]nonan-2-yl]-[4-(dimethylamino)pyrazol-1-yl]methanone
CID 145316044
[7-[[2-chloro-4-(1,3-thiazol-2-yl)phenyl]methyl]-2,7-diazaspiro[4.4]nonan-2-yl]-[4-[methyl(prop-1-en-2-yl)amino]pyrazol-1-yl]methanone
CID 162258117
[2-[[2-chloro-4-(1,3-thiazol-2-yl)phenyl]methyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-[4-(dimethylamino)pyrazol-1-yl]methanone
CID 145315974
1-[7-[(2,5-dichlorophenyl)methyl]-2,7-diazaspiro[4.4]nonane-2-carbonyl]pyrazole-4-carboxamide
CID 139417522
(4-chloropyrazol-1-yl)-[7-[(2-methyl-4-morpholin-4-ylphenyl)methyl]-2,7-diazaspiro[4.4]nonan-2-yl]methanone
CID 139417575
N-[1-[7-[(3,4-dichlorophenyl)methyl]-2,7-diazaspiro[4.4]nonane-2-carbonyl]pyrazol-4-yl]methanesulfonamide
CID 135375535
N-[1-[2-[(2-chlorophenyl)methyl]-2,8-diazaspiro[4.5]decane-8-carbonyl]pyrazol-4-yl]acetamide;N-[1-[2-[(2-chlorophenyl)methyl]-2,8-diazaspiro[4.5]decane-8-carbonyl]pyrazol-4-yl]-N-methylacetamide;iodomethane;methane
CID 162227578
1-[1-[2-[[3-(1,3-thiazol-2-yl)phenyl]methyl]-2,8-diazaspiro[4.5]decane-8-carbonyl]pyrazol-3-yl]ethanone
CID 158085827
N-methyl-N-[1-[7-[(3-phenoxyphenyl)methyl]-2,7-diazaspiro[4.4]nonane-2-carbonyl]pyrazol-4-yl]acetamide
CID 135375590
1-[2-[[3-(1,3-thiazol-2-yl)phenyl]methyl]-2,8-diazaspiro[4.5]decane-8-carbonyl]pyrazole-3-carboxylic acid
CID 135384365
acetaldehyde;[4-(dimethylamino)pyrazol-1-yl]-[2-[(3-phenoxyphenyl)methyl]-2,7-diazaspiro[3.5]nonan-7-yl]methanone
CID 145315954
(4-aminopyrazol-1-yl)-[4-[(2-chloro-4-phenylphenyl)methyl]piperazin-1-yl]methanone
CID 145316030

Frequently Asked Questions

What is the IUPAC name of [7-[[2-chloro-4-(1,3-thiazol-2-yl)phenyl]methyl]-2,7-diazaspiro[4.4]nonan-2-yl]-[4-(dimethylamino)pyrazol-1-yl]methanone?
The IUPAC name of [7-[[2-chloro-4-(1,3-thiazol-2-yl)phenyl]methyl]-2,7-diazaspiro[4.4]nonan-2-yl]-[4-(dimethylamino)pyrazol-1-yl]methanone (CID 145316045) is [7-[[2-chloro-4-(1,3-thiazol-2-yl)phenyl]methyl]-2,7-diazaspiro[4.4]nonan-2-yl]-[4-(dimethylamino)pyrazol-1-yl]methanone.
What is the SMILES notation for [7-[[2-chloro-4-(1,3-thiazol-2-yl)phenyl]methyl]-2,7-diazaspiro[4.4]nonan-2-yl]-[4-(dimethylamino)pyrazol-1-yl]methanone?
The canonical SMILES for [7-[[2-chloro-4-(1,3-thiazol-2-yl)phenyl]methyl]-2,7-diazaspiro[4.4]nonan-2-yl]-[4-(dimethylamino)pyrazol-1-yl]methanone is CN(C)c1cnn(C(=O)N2CCC3(CCN(Cc4ccc(-c5nccs5)cc4Cl)C3)C2)c1.
What is the InChIKey of [7-[[2-chloro-4-(1,3-thiazol-2-yl)phenyl]methyl]-2,7-diazaspiro[4.4]nonan-2-yl]-[4-(dimethylamino)pyrazol-1-yl]methanone?
The InChIKey is DYZJPUNTBCFJTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27ClN6OS/c1-27(2)19-12-26-30(14-19)22(31)29-9-6-23(16-29)5-8-28(15-23)13-18-4-3-17(11-20(18)24)21-25-7-10-32-21/h3-4,7,10-12,14H,5-6,8-9,13,15-16H2,1-2H3.
What are the key properties of [7-[[2-chloro-4-(1,3-thiazol-2-yl)phenyl]methyl]-2,7-diazaspiro[4.4]nonan-2-yl]-[4-(dimethylamino)pyrazol-1-yl]methanone?
[7-[[2-chloro-4-(1,3-thiazol-2-yl)phenyl]methyl]-2,7-diazaspiro[4.4]nonan-2-yl]-[4-(dimethylamino)pyrazol-1-yl]methanone has a molecular weight of 471.03 g/mol, XLogP of 4.29, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [7-[[2-chloro-4-(1,3-thiazol-2-yl)phenyl]methyl]-2,7-diazaspiro[4.4]nonan-2-yl]-[4-(dimethylamino)pyrazol-1-yl]methanone is sourced from PubChem (CID 145316045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).