[4-[4-(3-bromophenyl)-1,3-thiazol-2-yl]piperidin-1-yl]-(1H-indazol-3-yl)methanone

C22H19BrN4OS — CID 3712618

IUPAC[4-[4-(3-bromophenyl)-1,3-thiazol-2-yl]piperidin-1-yl]-(1H-indazol-3-yl)methanone
SMILESO=C(c1n[nH]c2ccccc12)N1CCC(c2nc(-c3cccc(Br)c3)cs2)CC1
InChIInChI=1S/C22H19BrN4OS/c23-16-5-3-4-15(12-16)19-13-29-21(24-19)14-8-10-27(11-9-14)22(28)20-17-6-1-2-7-18(17)25-26-20/h1-7,12-14H,8-11H2,(H,25,26)
InChIKeyMEMKMPKYNBCXMM-UHFFFAOYSA-N
MW467.39 g/mol
LogP5.47
Rot. Bonds3

About [4-[4-(3-bromophenyl)-1,3-thiazol-2-yl]piperidin-1-yl]-(1H-indazol-3-yl)methanone

[4-[4-(3-bromophenyl)-1,3-thiazol-2-yl]piperidin-1-yl]-(1H-indazol-3-yl)methanone (PubChem CID 3712618) has the molecular formula C22H19BrN4OS and a molecular weight of 467.39 g/mol. Its IUPAC name is [4-[4-(3-bromophenyl)-1,3-thiazol-2-yl]piperidin-1-yl]-(1H-indazol-3-yl)methanone.

Molecular Properties

Compound Name[4-[4-(3-bromophenyl)-1,3-thiazol-2-yl]piperidin-1-yl]-(1H-indazol-3-yl)methanone
PubChem CID3712618
Molecular FormulaC22H19BrN4OS
Molecular Weight467.39 g/mol
Exact Mass466.05
IUPAC Name[4-[4-(3-bromophenyl)-1,3-thiazol-2-yl]piperidin-1-yl]-(1H-indazol-3-yl)methanone
SMILESO=C(c1n[nH]c2ccccc12)N1CCC(c2nc(-c3cccc(Br)c3)cs2)CC1
InChIInChI=1S/C22H19BrN4OS/c23-16-5-3-4-15(12-16)19-13-29-21(24-19)14-8-10-27(11-9-14)22(28)20-17-6-1-2-7-18(17)25-26-20/h1-7,12-14H,8-11H2,(H,25,26)
InChIKeyMEMKMPKYNBCXMM-UHFFFAOYSA-N
XLogP5.47
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500467.39
LogP ≤ 55.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[4-[4-(3,5-ditert-butyl-4-hydroxyphenyl)-1,3-thiazol-2-yl]piperidin-1-yl]-(1H-indazol-3-yl)methanone
CID 3579882
(3-bromo-2,6-dimethoxyphenyl)-[4-[4-(3-bromophenyl)-1,3-thiazol-2-yl]piperidin-1-yl]methanone
CID 3715935
4-[4-(3-bromophenyl)-1,3-thiazol-2-yl]cyclohexan-1-ol
CID 116966608
1H-indazol-3-yl-(4-phenylpiperidin-1-yl)methanone
CID 143724811
[4-[4-(3-bromophenyl)-1,3-thiazol-2-yl]piperidin-1-yl]-[2-(2,2,2-trifluoroethoxy)-3-pyridinyl]methanone
CID 3755955
1-[4-[4-(3-bromophenyl)-1,3-thiazol-2-yl]piperidin-1-yl]-2-(3,4-difluorophenyl)ethanone
CID 3853833
[4-(1H-indazole-3-carbonyl)piperazin-1-yl]-(1H-indazol-3-yl)methanone
CID 170858800
1-[4-[4-(3-bromophenyl)-1,3-thiazol-2-yl]piperidin-1-yl]-3-(2-methylphenyl)sulfanylpropan-1-one
CID 3375206
[4-(hydroxymethyl)piperidin-1-yl]-(1H-indazol-3-yl)methanone
CID 54878386
[4-[4-(3,4-dichlorophenyl)-1,3-thiazol-2-yl]piperidin-1-yl]-(4,5-dichloro-1,2-thiazol-3-yl)methanone
CID 3872371
(4-amino-3-ethylpiperidin-1-yl)-(1H-indazol-3-yl)methanone
CID 81457192
4-(3-bromophenyl)-2-(1-methylpiperidin-1-ium-4-yl)-1,3-thiazole;chloride;hydrochloride
CID 44664830

Frequently Asked Questions

What is the IUPAC name of [4-[4-(3-bromophenyl)-1,3-thiazol-2-yl]piperidin-1-yl]-(1H-indazol-3-yl)methanone?
The IUPAC name of [4-[4-(3-bromophenyl)-1,3-thiazol-2-yl]piperidin-1-yl]-(1H-indazol-3-yl)methanone (CID 3712618) is [4-[4-(3-bromophenyl)-1,3-thiazol-2-yl]piperidin-1-yl]-(1H-indazol-3-yl)methanone.
What is the SMILES notation for [4-[4-(3-bromophenyl)-1,3-thiazol-2-yl]piperidin-1-yl]-(1H-indazol-3-yl)methanone?
The canonical SMILES for [4-[4-(3-bromophenyl)-1,3-thiazol-2-yl]piperidin-1-yl]-(1H-indazol-3-yl)methanone is O=C(c1n[nH]c2ccccc12)N1CCC(c2nc(-c3cccc(Br)c3)cs2)CC1.
What is the InChIKey of [4-[4-(3-bromophenyl)-1,3-thiazol-2-yl]piperidin-1-yl]-(1H-indazol-3-yl)methanone?
The InChIKey is MEMKMPKYNBCXMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19BrN4OS/c23-16-5-3-4-15(12-16)19-13-29-21(24-19)14-8-10-27(11-9-14)22(28)20-17-6-1-2-7-18(17)25-26-20/h1-7,12-14H,8-11H2,(H,25,26).
What are the key properties of [4-[4-(3-bromophenyl)-1,3-thiazol-2-yl]piperidin-1-yl]-(1H-indazol-3-yl)methanone?
[4-[4-(3-bromophenyl)-1,3-thiazol-2-yl]piperidin-1-yl]-(1H-indazol-3-yl)methanone has a molecular weight of 467.39 g/mol, XLogP of 5.47, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[4-(3-bromophenyl)-1,3-thiazol-2-yl]piperidin-1-yl]-(1H-indazol-3-yl)methanone is sourced from PubChem (CID 3712618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).