3-[2-chloro-5-(trifluoromethyl)pyrimidin-4-yl]-6-fluoro-7-methylsulfanyl-1H-indole

C14H8ClF4N3S — CID 163214404

IUPAC3-[2-chloro-5-(trifluoromethyl)pyrimidin-4-yl]-6-fluoro-7-methylsulfanyl-1H-indole
SMILESCSc1c(F)ccc2c(-c3nc(Cl)ncc3C(F)(F)F)c[nH]c12
InChIInChI=1S/C14H8ClF4N3S/c1-23-12-9(16)3-2-6-7(4-20-11(6)12)10-8(14(17,18)19)5-21-13(15)22-10/h2-5,20H,1H3
InChIKeyRPXTWYYEYGFKEC-UHFFFAOYSA-N
MW361.75 g/mol
LogP5.16
Rot. Bonds2

About 3-[2-chloro-5-(trifluoromethyl)pyrimidin-4-yl]-6-fluoro-7-methylsulfanyl-1H-indole

3-[2-chloro-5-(trifluoromethyl)pyrimidin-4-yl]-6-fluoro-7-methylsulfanyl-1H-indole (PubChem CID 163214404) has the molecular formula C14H8ClF4N3S and a molecular weight of 361.75 g/mol. Its IUPAC name is 3-[2-chloro-5-(trifluoromethyl)pyrimidin-4-yl]-6-fluoro-7-methylsulfanyl-1H-indole.

Molecular Properties

Compound Name3-[2-chloro-5-(trifluoromethyl)pyrimidin-4-yl]-6-fluoro-7-methylsulfanyl-1H-indole
PubChem CID163214404
Molecular FormulaC14H8ClF4N3S
Molecular Weight361.75 g/mol
Exact Mass361.01
IUPAC Name3-[2-chloro-5-(trifluoromethyl)pyrimidin-4-yl]-6-fluoro-7-methylsulfanyl-1H-indole
SMILESCSc1c(F)ccc2c(-c3nc(Cl)ncc3C(F)(F)F)c[nH]c12
InChIInChI=1S/C14H8ClF4N3S/c1-23-12-9(16)3-2-6-7(4-20-11(6)12)10-8(14(17,18)19)5-21-13(15)22-10/h2-5,20H,1H3
InChIKeyRPXTWYYEYGFKEC-UHFFFAOYSA-N
XLogP5.16
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500361.75
LogP ≤ 55.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-[2-chloro-5-(trifluoromethyl)pyrimidin-4-yl]-6-fluoro-7-methylsulfanyl-1H-indole 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

7-bromo-3-[2-chloro-5-(trifluoromethyl)pyrimidin-4-yl]-1H-indol-6-ol
CID 177096100
3-[2-chloro-5-(trifluoromethyl)pyrimidin-4-yl]-1H-indole-7-carbonitrile
CID 175858861
3-[2-chloro-5-(trifluoromethyl)pyrimidin-4-yl]-4-fluoro-1H-indole
CID 166477783
4-(6,7-difluoro-1H-indol-3-yl)-N-[(3S,5R)-5-methylpiperidin-3-yl]-5-(trifluoromethyl)pyrimidin-2-amine
CID 175858857
3-[2-amino-5-(trifluoromethyl)pyrimidin-4-yl]-7-dimethylphosphoryl-1H-indole-6-carboxylic acid
CID 170129730
2-[4-(7-methoxy-1H-indol-3-yl)-5-(trifluoromethyl)pyrimidin-2-yl]benzene-1,3-diamine
CID 175569372
2-[4-(7-methyl-1H-indol-3-yl)-5-(trifluoromethyl)pyrimidin-2-yl]benzene-1,3-diamine
CID 175569427
[6-bromo-3-[2-chloro-5-(trifluoromethyl)pyrimidin-4-yl]indol-1-yl] thiohypofluorite
CID 139335831
(3S)-N-[4-(6,7-dichloro-1H-indol-3-yl)-5-(trifluoromethyl)pyrimidin-2-yl]azepan-3-amine
CID 175858881
3-(2-chloro-5-fluoropyrimidin-4-yl)-1H-pyrrolo[2,3-b]pyridine
CID 167213939
3-(2,5-dichloropyrimidin-4-yl)-5,6-difluoro-1H-indole
CID 145444309
7-dimethylphosphoryl-3-[2-[[(2S)-1-hydroxypropan-2-yl]amino]-5-(trifluoromethyl)pyrimidin-4-yl]-1H-indole-6-carbonitrile
CID 164544654

Frequently Asked Questions

What is the IUPAC name of 3-[2-chloro-5-(trifluoromethyl)pyrimidin-4-yl]-6-fluoro-7-methylsulfanyl-1H-indole?
The IUPAC name of 3-[2-chloro-5-(trifluoromethyl)pyrimidin-4-yl]-6-fluoro-7-methylsulfanyl-1H-indole (CID 163214404) is 3-[2-chloro-5-(trifluoromethyl)pyrimidin-4-yl]-6-fluoro-7-methylsulfanyl-1H-indole.
What is the SMILES notation for 3-[2-chloro-5-(trifluoromethyl)pyrimidin-4-yl]-6-fluoro-7-methylsulfanyl-1H-indole?
The canonical SMILES for 3-[2-chloro-5-(trifluoromethyl)pyrimidin-4-yl]-6-fluoro-7-methylsulfanyl-1H-indole is CSc1c(F)ccc2c(-c3nc(Cl)ncc3C(F)(F)F)c[nH]c12.
What is the InChIKey of 3-[2-chloro-5-(trifluoromethyl)pyrimidin-4-yl]-6-fluoro-7-methylsulfanyl-1H-indole?
The InChIKey is RPXTWYYEYGFKEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8ClF4N3S/c1-23-12-9(16)3-2-6-7(4-20-11(6)12)10-8(14(17,18)19)5-21-13(15)22-10/h2-5,20H,1H3.
What are the key properties of 3-[2-chloro-5-(trifluoromethyl)pyrimidin-4-yl]-6-fluoro-7-methylsulfanyl-1H-indole?
3-[2-chloro-5-(trifluoromethyl)pyrimidin-4-yl]-6-fluoro-7-methylsulfanyl-1H-indole has a molecular weight of 361.75 g/mol, XLogP of 5.16, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-chloro-5-(trifluoromethyl)pyrimidin-4-yl]-6-fluoro-7-methylsulfanyl-1H-indole is sourced from PubChem (CID 163214404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).