6-chloro-3-[[3-(3,4-difluorophenyl)-1H-pyrazol-5-yl]methylsulfanyl]-1H-indole

C18H12ClF2N3S — CID 175823653

IUPAC6-chloro-3-[[3-(3,4-difluorophenyl)-1H-pyrazol-5-yl]methylsulfanyl]-1H-indole
SMILESFc1ccc(-c2cc(CSc3c[nH]c4cc(Cl)ccc34)[nH]n2)cc1F
InChIInChI=1S/C18H12ClF2N3S/c19-11-2-3-13-17(6-11)22-8-18(13)25-9-12-7-16(24-23-12)10-1-4-14(20)15(21)5-10/h1-8,22H,9H2,(H,23,24)
InChIKeyCIVODUVSEHQJGO-UHFFFAOYSA-N
MW375.83 g/mol
LogP5.78
Rot. Bonds4

About 6-chloro-3-[[3-(3,4-difluorophenyl)-1H-pyrazol-5-yl]methylsulfanyl]-1H-indole

6-chloro-3-[[3-(3,4-difluorophenyl)-1H-pyrazol-5-yl]methylsulfanyl]-1H-indole (PubChem CID 175823653) has the molecular formula C18H12ClF2N3S and a molecular weight of 375.83 g/mol. Its IUPAC name is 6-chloro-3-[[3-(3,4-difluorophenyl)-1H-pyrazol-5-yl]methylsulfanyl]-1H-indole.

Molecular Properties

Compound Name6-chloro-3-[[3-(3,4-difluorophenyl)-1H-pyrazol-5-yl]methylsulfanyl]-1H-indole
PubChem CID175823653
Molecular FormulaC18H12ClF2N3S
Molecular Weight375.83 g/mol
Exact Mass375.04
IUPAC Name6-chloro-3-[[3-(3,4-difluorophenyl)-1H-pyrazol-5-yl]methylsulfanyl]-1H-indole
SMILESFc1ccc(-c2cc(CSc3c[nH]c4cc(Cl)ccc34)[nH]n2)cc1F
InChIInChI=1S/C18H12ClF2N3S/c19-11-2-3-13-17(6-11)22-8-18(13)25-9-12-7-16(24-23-12)10-1-4-14(20)15(21)5-10/h1-8,22H,9H2,(H,23,24)
InChIKeyCIVODUVSEHQJGO-UHFFFAOYSA-N
XLogP5.78
TPSA44.47 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500375.83
LogP ≤ 55.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 6-chloro-3-[[3-(3,4-difluorophenyl)-1H-pyrazol-5-yl]methylsulfanyl]-1H-indole with MolForge

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Related Compounds

5-chloro-3-[[3-(4-methoxyphenyl)-1H-pyrazol-5-yl]methylsulfanyl]-1H-indole
CID 175416676
6-chloro-3-[[3-(2,4-dimethoxyphenyl)-1H-pyrazol-5-yl]methylsulfanyl]-1H-indole
CID 175416690
2-[3-(3,4-difluorophenyl)-1H-pyrazol-5-yl]acetonitrile
CID 171366779
4-[(3,5-difluorophenyl)methyl]-2-[[3-(3,4-difluorophenyl)-1H-pyrazol-5-yl]methylsulfanyl]-5-ethyl-1H-pyrimidin-6-one
CID 139479206
3-(4-chlorophenyl)-5-ethyl-1H-pyrazole
CID 123618516
N-[[3-(3-chloro-4-fluorophenyl)-1H-pyrazol-5-yl]methyl]ethanamine
CID 55035889
3-(3,4-difluorophenyl)-1H-pyrazole-5-carbaldehyde
CID 62111842
6-chloro-3-(ethoxymethyl)-1H-indole
CID 117178595
1-[5-chloro-2-[(6-fluoro-1H-indol-3-yl)sulfanyl]phenyl]-N-methylmethanamine
CID 68540753
3-(bromomethyl)-6-chloro-1H-indole
CID 131288743
5-chloro-2-[3-(3,4-difluorophenyl)-1H-pyrazol-5-yl]-6-methyl-1H-benzimidazole
CID 136960198
N-[(6-chloro-1H-indol-3-yl)sulfanyl]-6-ethylpyridin-3-amine
CID 167205964

Frequently Asked Questions

What is the IUPAC name of 6-chloro-3-[[3-(3,4-difluorophenyl)-1H-pyrazol-5-yl]methylsulfanyl]-1H-indole?
The IUPAC name of 6-chloro-3-[[3-(3,4-difluorophenyl)-1H-pyrazol-5-yl]methylsulfanyl]-1H-indole (CID 175823653) is 6-chloro-3-[[3-(3,4-difluorophenyl)-1H-pyrazol-5-yl]methylsulfanyl]-1H-indole.
What is the SMILES notation for 6-chloro-3-[[3-(3,4-difluorophenyl)-1H-pyrazol-5-yl]methylsulfanyl]-1H-indole?
The canonical SMILES for 6-chloro-3-[[3-(3,4-difluorophenyl)-1H-pyrazol-5-yl]methylsulfanyl]-1H-indole is Fc1ccc(-c2cc(CSc3c[nH]c4cc(Cl)ccc34)[nH]n2)cc1F.
What is the InChIKey of 6-chloro-3-[[3-(3,4-difluorophenyl)-1H-pyrazol-5-yl]methylsulfanyl]-1H-indole?
The InChIKey is CIVODUVSEHQJGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12ClF2N3S/c19-11-2-3-13-17(6-11)22-8-18(13)25-9-12-7-16(24-23-12)10-1-4-14(20)15(21)5-10/h1-8,22H,9H2,(H,23,24).
What are the key properties of 6-chloro-3-[[3-(3,4-difluorophenyl)-1H-pyrazol-5-yl]methylsulfanyl]-1H-indole?
6-chloro-3-[[3-(3,4-difluorophenyl)-1H-pyrazol-5-yl]methylsulfanyl]-1H-indole has a molecular weight of 375.83 g/mol, XLogP of 5.78, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-3-[[3-(3,4-difluorophenyl)-1H-pyrazol-5-yl]methylsulfanyl]-1H-indole is sourced from PubChem (CID 175823653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).