[3-chloro-1-(4-methoxyphenyl)indazol-5-yl]-piperidin-1-ylmethanone

C20H20ClN3O2 — CID 156811027

IUPAC[3-chloro-1-(4-methoxyphenyl)indazol-5-yl]-piperidin-1-ylmethanone
SMILESCOc1ccc(-n2nc(Cl)c3cc(C(=O)N4CCCCC4)ccc32)cc1
InChIInChI=1S/C20H20ClN3O2/c1-26-16-8-6-15(7-9-16)24-18-10-5-14(13-17(18)19(21)22-24)20(25)23-11-3-2-4-12-23/h5-10,13H,2-4,11-12H2,1H3
InChIKeyNVTQQCWYSKLFEX-UHFFFAOYSA-N
MW369.85 g/mol
LogP4.31
Rot. Bonds3

About [3-chloro-1-(4-methoxyphenyl)indazol-5-yl]-piperidin-1-ylmethanone

[3-chloro-1-(4-methoxyphenyl)indazol-5-yl]-piperidin-1-ylmethanone (PubChem CID 156811027) has the molecular formula C20H20ClN3O2 and a molecular weight of 369.85 g/mol. Its IUPAC name is [3-chloro-1-(4-methoxyphenyl)indazol-5-yl]-piperidin-1-ylmethanone.

Molecular Properties

Compound Name[3-chloro-1-(4-methoxyphenyl)indazol-5-yl]-piperidin-1-ylmethanone
PubChem CID156811027
Molecular FormulaC20H20ClN3O2
Molecular Weight369.85 g/mol
Exact Mass369.12
IUPAC Name[3-chloro-1-(4-methoxyphenyl)indazol-5-yl]-piperidin-1-ylmethanone
SMILESCOc1ccc(-n2nc(Cl)c3cc(C(=O)N4CCCCC4)ccc32)cc1
InChIInChI=1S/C20H20ClN3O2/c1-26-16-8-6-15(7-9-16)24-18-10-5-14(13-17(18)19(21)22-24)20(25)23-11-3-2-4-12-23/h5-10,13H,2-4,11-12H2,1H3
InChIKeyNVTQQCWYSKLFEX-UHFFFAOYSA-N
XLogP4.31
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.85
LogP ≤ 54.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

7-Chloro-4,5-dihydro-3-(4-methoxyphenyl)-N,N,5-trimethyl-4-oxo-3H-pyridazino[4,5-b]indole-1-acetamide
CID 9888624
(2E)-2-[2-(4-chlorophenyl)-1-oxopyrrolo[3,4-b]quinolin-3-ylidene]-N-(4-methoxyphenyl)-N-methylacetamide
CID 10672041
1-(4-(2-(1-(4-methoxyphenyl)-3-(trifluoromethyl)-1H-pyrazol-5-yl)-2-oxoethyl)phenyl)piperidin-2-one
CID 44446659
(2-Chlorophenyl)-[3-(3-piperidin-1-ylpropoxy)indazol-1-yl]methanone
CID 153979972
N,2-diethyl-3-methoxy-N-(4-methoxyphenyl)indazole-6-carboxamide
CID 11958438
N-{3-[5-(4-Chloro-phenyl)-1-(4-methoxy-phenyl)-1H-pyrazol-3-yl]-1-methyl-prop-2-ynyl}-N-hydroxy-benzamide
CID 44385978
(4-(3-chlorophenyl)piperazin-1-yl)(5-(3-methoxyphenyl)-1-p-tolyl-1H-pyrazol-3-yl)methanone
CID 44578772
[5-(4-Chlorophenyl)-1-(4-methoxyphenyl)pyrazol-3-yl]-pyrrolidin-1-ylmethanone
CID 60168043
[5-(4-Chlorophenyl)-1-(4-methoxyphenyl)pyrazol-3-yl]-piperidin-1-ylmethanone
CID 71698083
[5-(4-Chlorophenyl)-1-(4-methoxyphenyl)pyrazol-3-yl]-morpholin-4-ylmethanone
CID 71698176
N-[2-(dimethylamino)ethyl]-14-[3-(dimethylamino)propyl]-4-methoxy-8,14,15-triazatetracyclo[7.6.1.02,7.013,16]hexadeca-1(15),2(7),3,5,9,11,13(16)-heptaene-10-carboxamide
CID 135465668
N,14-bis[2-(dimethylamino)ethyl]-4-methoxy-8,14,15-triazatetracyclo[7.6.1.02,7.013,16]hexadeca-1(15),2(7),3,5,9,11,13(16)-heptaene-10-carboxamide
CID 135501695

Frequently Asked Questions

What is the IUPAC name of [3-chloro-1-(4-methoxyphenyl)indazol-5-yl]-piperidin-1-ylmethanone?
The IUPAC name of [3-chloro-1-(4-methoxyphenyl)indazol-5-yl]-piperidin-1-ylmethanone (CID 156811027) is [3-chloro-1-(4-methoxyphenyl)indazol-5-yl]-piperidin-1-ylmethanone.
What is the SMILES notation for [3-chloro-1-(4-methoxyphenyl)indazol-5-yl]-piperidin-1-ylmethanone?
The canonical SMILES for [3-chloro-1-(4-methoxyphenyl)indazol-5-yl]-piperidin-1-ylmethanone is COc1ccc(-n2nc(Cl)c3cc(C(=O)N4CCCCC4)ccc32)cc1.
What is the InChIKey of [3-chloro-1-(4-methoxyphenyl)indazol-5-yl]-piperidin-1-ylmethanone?
The InChIKey is NVTQQCWYSKLFEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20ClN3O2/c1-26-16-8-6-15(7-9-16)24-18-10-5-14(13-17(18)19(21)22-24)20(25)23-11-3-2-4-12-23/h5-10,13H,2-4,11-12H2,1H3.
What are the key properties of [3-chloro-1-(4-methoxyphenyl)indazol-5-yl]-piperidin-1-ylmethanone?
[3-chloro-1-(4-methoxyphenyl)indazol-5-yl]-piperidin-1-ylmethanone has a molecular weight of 369.85 g/mol, XLogP of 4.31, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-chloro-1-(4-methoxyphenyl)indazol-5-yl]-piperidin-1-ylmethanone is sourced from PubChem (CID 156811027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).