[4-[[2-(4-fluorophenyl)-1,3-thiazol-4-yl]methyl]piperazin-1-yl]-(5-methyl-1H-indazol-3-yl)methanone

C23H22FN5OS — CID 78864956

IUPAC[4-[[2-(4-fluorophenyl)-1,3-thiazol-4-yl]methyl]piperazin-1-yl]-(5-methyl-1H-indazol-3-yl)methanone
SMILESCc1ccc2[nH]nc(C(=O)N3CCN(Cc4csc(-c5ccc(F)cc5)n4)CC3)c2c1
InChIInChI=1S/C23H22FN5OS/c1-15-2-7-20-19(12-15)21(27-26-20)23(30)29-10-8-28(9-11-29)13-18-14-31-22(25-18)16-3-5-17(24)6-4-16/h2-7,12,14H,8-11,13H2,1H3,(H,26,27)
InChIKeyTVFLVNHJWQWNJN-UHFFFAOYSA-N
MW435.53 g/mol
LogP4.09
Rot. Bonds4

About [4-[[2-(4-fluorophenyl)-1,3-thiazol-4-yl]methyl]piperazin-1-yl]-(5-methyl-1H-indazol-3-yl)methanone

[4-[[2-(4-fluorophenyl)-1,3-thiazol-4-yl]methyl]piperazin-1-yl]-(5-methyl-1H-indazol-3-yl)methanone (PubChem CID 78864956) has the molecular formula C23H22FN5OS and a molecular weight of 435.53 g/mol. Its IUPAC name is [4-[[2-(4-fluorophenyl)-1,3-thiazol-4-yl]methyl]piperazin-1-yl]-(5-methyl-1H-indazol-3-yl)methanone.

Molecular Properties

Compound Name[4-[[2-(4-fluorophenyl)-1,3-thiazol-4-yl]methyl]piperazin-1-yl]-(5-methyl-1H-indazol-3-yl)methanone
PubChem CID78864956
Molecular FormulaC23H22FN5OS
Molecular Weight435.53 g/mol
Exact Mass435.15
IUPAC Name[4-[[2-(4-fluorophenyl)-1,3-thiazol-4-yl]methyl]piperazin-1-yl]-(5-methyl-1H-indazol-3-yl)methanone
SMILESCc1ccc2[nH]nc(C(=O)N3CCN(Cc4csc(-c5ccc(F)cc5)n4)CC3)c2c1
InChIInChI=1S/C23H22FN5OS/c1-15-2-7-20-19(12-15)21(27-26-20)23(30)29-10-8-28(9-11-29)13-18-14-31-22(25-18)16-3-5-17(24)6-4-16/h2-7,12,14H,8-11,13H2,1H3,(H,26,27)
InChIKeyTVFLVNHJWQWNJN-UHFFFAOYSA-N
XLogP4.09
TPSA65.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.53
LogP ≤ 54.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[4-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-1-yl]-(5-methyl-1H-indazol-3-yl)methanone
CID 78859011
[4-[(4-methoxyphenyl)methyl]-1,4-diazepan-1-yl]-(5-methyl-1H-indazol-3-yl)methanone
CID 78868617
2-amino-1-[4-[[2-(4-fluorophenyl)-1,3-thiazol-4-yl]methyl]piperazin-1-yl]ethanone
CID 119902970
tert-butyl 4-[[2-(4-fluorophenyl)-1,3-thiazol-4-yl]methyl]piperazine-1-carboxylate
CID 70975537
(5-methyl-1H-indazol-3-yl)-morpholin-4-ylmethanone
CID 78869833
(5-methyl-1H-indazol-3-yl)-(4-phenylpiperazin-1-yl)methanone
CID 78859047
2-[4-(5-fluoro-1H-indazole-3-carbonyl)piperazin-1-yl]-1-(4-fluorophenyl)ethanone
CID 24936428
(5-methyl-1H-indazol-3-yl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
CID 78858969
1H-indazol-3-yl-[4-[(4-methylphenyl)methyl]-1,4-diazepan-1-yl]methanone
CID 30951232
2-[4-(5-methyl-1H-indazole-3-carbonyl)piperazin-1-yl]-2-oxo-N-propan-2-ylacetamide
CID 78868399
4-[[4-(4-fluorophenyl)piperazin-1-yl]methyl]-2-(3-methylphenyl)-1,3-thiazole
CID 22198420
[2-(4-fluorophenyl)piperidin-1-yl]-(5-methyl-1H-indazol-3-yl)methanone
CID 70742188

Frequently Asked Questions

What is the IUPAC name of [4-[[2-(4-fluorophenyl)-1,3-thiazol-4-yl]methyl]piperazin-1-yl]-(5-methyl-1H-indazol-3-yl)methanone?
The IUPAC name of [4-[[2-(4-fluorophenyl)-1,3-thiazol-4-yl]methyl]piperazin-1-yl]-(5-methyl-1H-indazol-3-yl)methanone (CID 78864956) is [4-[[2-(4-fluorophenyl)-1,3-thiazol-4-yl]methyl]piperazin-1-yl]-(5-methyl-1H-indazol-3-yl)methanone.
What is the SMILES notation for [4-[[2-(4-fluorophenyl)-1,3-thiazol-4-yl]methyl]piperazin-1-yl]-(5-methyl-1H-indazol-3-yl)methanone?
The canonical SMILES for [4-[[2-(4-fluorophenyl)-1,3-thiazol-4-yl]methyl]piperazin-1-yl]-(5-methyl-1H-indazol-3-yl)methanone is Cc1ccc2[nH]nc(C(=O)N3CCN(Cc4csc(-c5ccc(F)cc5)n4)CC3)c2c1.
What is the InChIKey of [4-[[2-(4-fluorophenyl)-1,3-thiazol-4-yl]methyl]piperazin-1-yl]-(5-methyl-1H-indazol-3-yl)methanone?
The InChIKey is TVFLVNHJWQWNJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22FN5OS/c1-15-2-7-20-19(12-15)21(27-26-20)23(30)29-10-8-28(9-11-29)13-18-14-31-22(25-18)16-3-5-17(24)6-4-16/h2-7,12,14H,8-11,13H2,1H3,(H,26,27).
What are the key properties of [4-[[2-(4-fluorophenyl)-1,3-thiazol-4-yl]methyl]piperazin-1-yl]-(5-methyl-1H-indazol-3-yl)methanone?
[4-[[2-(4-fluorophenyl)-1,3-thiazol-4-yl]methyl]piperazin-1-yl]-(5-methyl-1H-indazol-3-yl)methanone has a molecular weight of 435.53 g/mol, XLogP of 4.09, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[[2-(4-fluorophenyl)-1,3-thiazol-4-yl]methyl]piperazin-1-yl]-(5-methyl-1H-indazol-3-yl)methanone is sourced from PubChem (CID 78864956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).