4-[4-(cyclopentylmethyl)-3-[1-(4-fluorophenyl)-6-methoxyindazol-5-yl]piperazin-1-yl]sulfonyl-2-methyl-1,3-thiazole

C28H32FN5O3S2 — CID 168813206

IUPAC4-[4-(cyclopentylmethyl)-3-[1-(4-fluorophenyl)-6-methoxyindazol-5-yl]piperazin-1-yl]sulfonyl-2-methyl-1,3-thiazole
SMILESCOc1cc2c(cnn2-c2ccc(F)cc2)cc1C1CN(S(=O)(=O)c2csc(C)n2)CCN1CC1CCCC1
InChIInChI=1S/C28H32FN5O3S2/c1-19-31-28(18-38-19)39(35,36)33-12-11-32(16-20-5-3-4-6-20)26(17-33)24-13-21-15-30-34(25(21)14-27(24)37-2)23-9-7-22(29)8-10-23/h7-10,13-15,18,20,26H,3-6,11-12,16-17H2,1-2H3
InChIKeyILPSGMMUWAHBDM-UHFFFAOYSA-N
MW569.73 g/mol
LogP5.18
Rot. Bonds7

About 4-[4-(cyclopentylmethyl)-3-[1-(4-fluorophenyl)-6-methoxyindazol-5-yl]piperazin-1-yl]sulfonyl-2-methyl-1,3-thiazole

4-[4-(cyclopentylmethyl)-3-[1-(4-fluorophenyl)-6-methoxyindazol-5-yl]piperazin-1-yl]sulfonyl-2-methyl-1,3-thiazole (PubChem CID 168813206) has the molecular formula C28H32FN5O3S2 and a molecular weight of 569.73 g/mol. Its IUPAC name is 4-[4-(cyclopentylmethyl)-3-[1-(4-fluorophenyl)-6-methoxyindazol-5-yl]piperazin-1-yl]sulfonyl-2-methyl-1,3-thiazole.

Molecular Properties

Compound Name4-[4-(cyclopentylmethyl)-3-[1-(4-fluorophenyl)-6-methoxyindazol-5-yl]piperazin-1-yl]sulfonyl-2-methyl-1,3-thiazole
PubChem CID168813206
Molecular FormulaC28H32FN5O3S2
Molecular Weight569.73 g/mol
Exact Mass569.19
IUPAC Name4-[4-(cyclopentylmethyl)-3-[1-(4-fluorophenyl)-6-methoxyindazol-5-yl]piperazin-1-yl]sulfonyl-2-methyl-1,3-thiazole
SMILESCOc1cc2c(cnn2-c2ccc(F)cc2)cc1C1CN(S(=O)(=O)c2csc(C)n2)CCN1CC1CCCC1
InChIInChI=1S/C28H32FN5O3S2/c1-19-31-28(18-38-19)39(35,36)33-12-11-32(16-20-5-3-4-6-20)26(17-33)24-13-21-15-30-34(25(21)14-27(24)37-2)23-9-7-22(29)8-10-23/h7-10,13-15,18,20,26H,3-6,11-12,16-17H2,1-2H3
InChIKeyILPSGMMUWAHBDM-UHFFFAOYSA-N
XLogP5.18
TPSA80.56 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500569.73
LogP ≤ 55.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 4-[4-(cyclopentylmethyl)-3-[1-(4-fluorophenyl)-6-methoxyindazol-5-yl]piperazin-1-yl]sulfonyl-2-methyl-1,3-thiazole with MolForge

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Related Compounds

US11787780, Example 144
CID 166916291
US11787780, Example 219
CID 166916668
US11787780, Example 218
CID 166916686
US11787780, Example 162
CID 166916908
US11787780, Example 161
CID 166916909
US11787780, Example 233
CID 166917093
4-[3-[1-(4-Fluorophenyl)-6-methoxyindazol-5-yl]-4-(3,3,3-trifluoropropyl)piperazin-1-yl]sulfonyl-2-methyl-1,3-thiazole
CID 168812824
4-[1-(cyclopentylmethyl)-4-[(2-methyl-1,3-thiazol-4-yl)sulfonyl]piperazin-2-yl]-N-(4-fluorophenyl)-2-methanimidoyl-5-methoxyaniline
CID 168813304
1-(4-Fluorophenyl)-6-methoxy-5-[1-(2-methylpropyl)-4-(2-methyltriazol-4-yl)sulfonylpiperazin-2-yl]indazole
CID 168813314
6-(difluoromethoxy)-1-(4-fluorophenyl)-5-[1-(1-propylpyrrol-3-yl)sulfonyl-3,6-dihydro-2H-pyridin-4-yl]indazole
CID 170273803
5-[1-(1-Ethylpyrrol-3-yl)sulfonyl-3-[(4-fluorophenyl)methyl]pyrrolidin-3-yl]-1-(4-fluorophenyl)-6-methoxyindazole
CID 170273838
2-(7-Fluoro-6-methoxy-2-methylindazol-5-yl)-6-(1-methylpiperidin-4-yl)thieno[2,3-b]pyridine
CID 170747532

Frequently Asked Questions

What is the IUPAC name of 4-[4-(cyclopentylmethyl)-3-[1-(4-fluorophenyl)-6-methoxyindazol-5-yl]piperazin-1-yl]sulfonyl-2-methyl-1,3-thiazole?
The IUPAC name of 4-[4-(cyclopentylmethyl)-3-[1-(4-fluorophenyl)-6-methoxyindazol-5-yl]piperazin-1-yl]sulfonyl-2-methyl-1,3-thiazole (CID 168813206) is 4-[4-(cyclopentylmethyl)-3-[1-(4-fluorophenyl)-6-methoxyindazol-5-yl]piperazin-1-yl]sulfonyl-2-methyl-1,3-thiazole.
What is the SMILES notation for 4-[4-(cyclopentylmethyl)-3-[1-(4-fluorophenyl)-6-methoxyindazol-5-yl]piperazin-1-yl]sulfonyl-2-methyl-1,3-thiazole?
The canonical SMILES for 4-[4-(cyclopentylmethyl)-3-[1-(4-fluorophenyl)-6-methoxyindazol-5-yl]piperazin-1-yl]sulfonyl-2-methyl-1,3-thiazole is COc1cc2c(cnn2-c2ccc(F)cc2)cc1C1CN(S(=O)(=O)c2csc(C)n2)CCN1CC1CCCC1.
What is the InChIKey of 4-[4-(cyclopentylmethyl)-3-[1-(4-fluorophenyl)-6-methoxyindazol-5-yl]piperazin-1-yl]sulfonyl-2-methyl-1,3-thiazole?
The InChIKey is ILPSGMMUWAHBDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H32FN5O3S2/c1-19-31-28(18-38-19)39(35,36)33-12-11-32(16-20-5-3-4-6-20)26(17-33)24-13-21-15-30-34(25(21)14-27(24)37-2)23-9-7-22(29)8-10-23/h7-10,13-15,18,20,26H,3-6,11-12,16-17H2,1-2H3.
What are the key properties of 4-[4-(cyclopentylmethyl)-3-[1-(4-fluorophenyl)-6-methoxyindazol-5-yl]piperazin-1-yl]sulfonyl-2-methyl-1,3-thiazole?
4-[4-(cyclopentylmethyl)-3-[1-(4-fluorophenyl)-6-methoxyindazol-5-yl]piperazin-1-yl]sulfonyl-2-methyl-1,3-thiazole has a molecular weight of 569.73 g/mol, XLogP of 5.18, 7 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(cyclopentylmethyl)-3-[1-(4-fluorophenyl)-6-methoxyindazol-5-yl]piperazin-1-yl]sulfonyl-2-methyl-1,3-thiazole is sourced from PubChem (CID 168813206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).