1-[6-chloro-4-(trifluoromethyl)-2-pyridinyl]-5-(4-methylsulfonylpiperazin-1-yl)indazole

C18H17ClF3N5O2S — CID 163234279

IUPAC1-[6-chloro-4-(trifluoromethyl)-2-pyridinyl]-5-(4-methylsulfonylpiperazin-1-yl)indazole
SMILESCS(=O)(=O)N1CCN(c2ccc3c(cnn3-c3cc(C(F)(F)F)cc(Cl)n3)c2)CC1
InChIInChI=1S/C18H17ClF3N5O2S/c1-30(28,29)26-6-4-25(5-7-26)14-2-3-15-12(8-14)11-23-27(15)17-10-13(18(20,21)22)9-16(19)24-17/h2-3,8-11H,4-7H2,1H3
InChIKeyLPISJWHWDXTROP-UHFFFAOYSA-N
MW459.88 g/mol
LogP3.17
Rot. Bonds3

About 1-[6-chloro-4-(trifluoromethyl)-2-pyridinyl]-5-(4-methylsulfonylpiperazin-1-yl)indazole

1-[6-chloro-4-(trifluoromethyl)-2-pyridinyl]-5-(4-methylsulfonylpiperazin-1-yl)indazole (PubChem CID 163234279) has the molecular formula C18H17ClF3N5O2S and a molecular weight of 459.88 g/mol. Its IUPAC name is 1-[6-chloro-4-(trifluoromethyl)-2-pyridinyl]-5-(4-methylsulfonylpiperazin-1-yl)indazole.

Molecular Properties

Compound Name1-[6-chloro-4-(trifluoromethyl)-2-pyridinyl]-5-(4-methylsulfonylpiperazin-1-yl)indazole
PubChem CID163234279
Molecular FormulaC18H17ClF3N5O2S
Molecular Weight459.88 g/mol
Exact Mass459.07
IUPAC Name1-[6-chloro-4-(trifluoromethyl)-2-pyridinyl]-5-(4-methylsulfonylpiperazin-1-yl)indazole
SMILESCS(=O)(=O)N1CCN(c2ccc3c(cnn3-c3cc(C(F)(F)F)cc(Cl)n3)c2)CC1
InChIInChI=1S/C18H17ClF3N5O2S/c1-30(28,29)26-6-4-25(5-7-26)14-2-3-15-12(8-14)11-23-27(15)17-10-13(18(20,21)22)9-16(19)24-17/h2-3,8-11H,4-7H2,1H3
InChIKeyLPISJWHWDXTROP-UHFFFAOYSA-N
XLogP3.17
TPSA71.33 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500459.88
LogP ≤ 53.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Analyze 1-[6-chloro-4-(trifluoromethyl)-2-pyridinyl]-5-(4-methylsulfonylpiperazin-1-yl)indazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-chloro-3-fluoro-5-[5-(4-methylsulfonylpiperazin-1-yl)pyrazolo[3,4-c]pyridin-1-yl]phenol
CID 163234389
6-[5-(4-methylsulfonylpiperazin-1-yl)indazol-2-yl]-4-(trifluoromethyl)-1H-pyridin-2-one
CID 163234438
4-chloro-5-(4-methylsulfonyl-1,4-diazepan-1-yl)-2-[5-(trifluoromethyl)-2-pyridinyl]pyridazin-3-one
CID 36657990
3-[5-(4-methylsulfonylpiperazin-1-yl)-1,3-benzoxazol-2-yl]-5-(trifluoromethyl)phenol
CID 163235013
4-[1-[3-(methoxymethoxy)-5-(trifluoromethyl)phenyl]indazol-5-yl]piperazine-1-carboxylic acid
CID 174185429
5,7-difluoro-1-[5-(4-methylsulfonylpiperazin-1-yl)-2-pyridinyl]indazol-6-ol
CID 163233481
2,3-difluoro-5-[5-(4-propan-2-ylsulfonylpiperazin-1-yl)indazol-1-yl]phenol
CID 170685660
2,3-difluoro-5-[5-(4-methylsulfonylpiperazin-1-yl)-6-(trifluoromethyl)indazol-1-yl]phenol
CID 163234114
3-[[4-(4-methylsulfonylpiperazin-1-yl)-1-[3-(trifluoromethyl)phenyl]pyrazolo[5,4-d]pyrimidin-6-yl]amino]cyclobutan-1-ol
CID 156716452
6-(4-methylsulfonylpiperazin-1-yl)naphthalen-2-ol
CID 67206897
5-[6-chloro-5-(4-methylsulfonylpiperazin-1-yl)indazol-1-yl]-2,3-difluorophenol
CID 163233870
4-chloro-2-methylsulfanyl-6-(4-methylsulfonylpiperazin-1-yl)pyrimidine
CID 80546991

Frequently Asked Questions

What is the IUPAC name of 1-[6-chloro-4-(trifluoromethyl)-2-pyridinyl]-5-(4-methylsulfonylpiperazin-1-yl)indazole?
The IUPAC name of 1-[6-chloro-4-(trifluoromethyl)-2-pyridinyl]-5-(4-methylsulfonylpiperazin-1-yl)indazole (CID 163234279) is 1-[6-chloro-4-(trifluoromethyl)-2-pyridinyl]-5-(4-methylsulfonylpiperazin-1-yl)indazole.
What is the SMILES notation for 1-[6-chloro-4-(trifluoromethyl)-2-pyridinyl]-5-(4-methylsulfonylpiperazin-1-yl)indazole?
The canonical SMILES for 1-[6-chloro-4-(trifluoromethyl)-2-pyridinyl]-5-(4-methylsulfonylpiperazin-1-yl)indazole is CS(=O)(=O)N1CCN(c2ccc3c(cnn3-c3cc(C(F)(F)F)cc(Cl)n3)c2)CC1.
What is the InChIKey of 1-[6-chloro-4-(trifluoromethyl)-2-pyridinyl]-5-(4-methylsulfonylpiperazin-1-yl)indazole?
The InChIKey is LPISJWHWDXTROP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17ClF3N5O2S/c1-30(28,29)26-6-4-25(5-7-26)14-2-3-15-12(8-14)11-23-27(15)17-10-13(18(20,21)22)9-16(19)24-17/h2-3,8-11H,4-7H2,1H3.
What are the key properties of 1-[6-chloro-4-(trifluoromethyl)-2-pyridinyl]-5-(4-methylsulfonylpiperazin-1-yl)indazole?
1-[6-chloro-4-(trifluoromethyl)-2-pyridinyl]-5-(4-methylsulfonylpiperazin-1-yl)indazole has a molecular weight of 459.88 g/mol, XLogP of 3.17, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-chloro-4-(trifluoromethyl)-2-pyridinyl]-5-(4-methylsulfonylpiperazin-1-yl)indazole is sourced from PubChem (CID 163234279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).