1-[5-(4-chloro-2-pyridinyl)pyrimidin-2-yl]-3-methylsulfinylindole

C18H13ClN4OS — CID 141472001

IUPAC1-[5-(4-chloro-2-pyridinyl)pyrimidin-2-yl]-3-methylsulfinylindole
SMILESCS(=O)c1cn(-c2ncc(-c3cc(Cl)ccn3)cn2)c2ccccc12
InChIInChI=1S/C18H13ClN4OS/c1-25(24)17-11-23(16-5-3-2-4-14(16)17)18-21-9-12(10-22-18)15-8-13(19)6-7-20-15/h2-11H,1H3
InChIKeyPLEFHCXXHQCIRD-UHFFFAOYSA-N
MW368.85 g/mol
LogP3.87
Rot. Bonds3

About 1-[5-(4-chloro-2-pyridinyl)pyrimidin-2-yl]-3-methylsulfinylindole

1-[5-(4-chloro-2-pyridinyl)pyrimidin-2-yl]-3-methylsulfinylindole (PubChem CID 141472001) has the molecular formula C18H13ClN4OS and a molecular weight of 368.85 g/mol. Its IUPAC name is 1-[5-(4-chloro-2-pyridinyl)pyrimidin-2-yl]-3-methylsulfinylindole.

Molecular Properties

Compound Name1-[5-(4-chloro-2-pyridinyl)pyrimidin-2-yl]-3-methylsulfinylindole
PubChem CID141472001
Molecular FormulaC18H13ClN4OS
Molecular Weight368.85 g/mol
Exact Mass368.05
IUPAC Name1-[5-(4-chloro-2-pyridinyl)pyrimidin-2-yl]-3-methylsulfinylindole
SMILESCS(=O)c1cn(-c2ncc(-c3cc(Cl)ccn3)cn2)c2ccccc12
InChIInChI=1S/C18H13ClN4OS/c1-25(24)17-11-23(16-5-3-2-4-14(16)17)18-21-9-12(10-22-18)15-8-13(19)6-7-20-15/h2-11H,1H3
InChIKeyPLEFHCXXHQCIRD-UHFFFAOYSA-N
XLogP3.87
TPSA60.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.85
LogP ≤ 53.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 1-[5-(4-chloro-2-pyridinyl)pyrimidin-2-yl]-3-methylsulfinylindole 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

4-[(4-chlorophenyl)methylsulfanyl]-N,N-dimethylpyrido[1,2]thieno[3,4-d]pyrimidin-9-amine
CID 1069463
1-(3-Chlorophenyl)sulfonyl-4-(4-methylpiperazin-1-yl)pyrrolo[3,2-c]quinoline
CID 90469380
5-(7-Chloro-10-methylsulfanyl-3,4-dihydro-1H-pyrazino[1,2-a]indol-2-ylmethyl)-pyrimidine-2,4-diamine
CID 11003295
1-(2-Chloro-4-methanesulfonyl-phenyl)-7-methyl-5-(1-propyl-butyl)-1,3,4,5-tetrahydro-1,5,8-triaza-acenaphthylene
CID 11306515
4-[3-(2-Chlorophenyl)pyrrolo[3,2-c]pyridin-1-yl]pyrimidin-2-amine
CID 71580913
4-[3-(3-Chlorophenyl)pyrrolo[3,2-c]pyridin-1-yl]pyrimidin-2-amine
CID 71580914
4-[3-(4-Chlorophenyl)pyrrolo[3,2-c]pyridin-1-yl]pyrimidin-2-amine
CID 71580915
2-[(3-Chlorophenyl)sulfonylmethyl]-4-(3-pyridyl)thieno[3,2-d]pyrimidine
CID 118720098
2-[(3-Chlorophenyl)sulfonylmethyl]-4-(4-pyridyl)thieno[3,2-d]pyrimidine
CID 118720099
2-[(3-Chlorophenyl)sulfonylmethyl]-4-(2-chloro-4-pyridyl)thieno[3,2-d]pyrimidine
CID 118720100
1-Methyl-3-[2-(4-methylsulfonylphenyl)pyrimidin-4-yl]pyrrolo[2,3-c]pyridine
CID 118735334
5-[3-(2-Chloro-4-fluorophenyl)thieno[3,2-b]pyridin-7-yl]pyrimidin-4-amine
CID 71544376

Frequently Asked Questions

What is the IUPAC name of 1-[5-(4-chloro-2-pyridinyl)pyrimidin-2-yl]-3-methylsulfinylindole?
The IUPAC name of 1-[5-(4-chloro-2-pyridinyl)pyrimidin-2-yl]-3-methylsulfinylindole (CID 141472001) is 1-[5-(4-chloro-2-pyridinyl)pyrimidin-2-yl]-3-methylsulfinylindole.
What is the SMILES notation for 1-[5-(4-chloro-2-pyridinyl)pyrimidin-2-yl]-3-methylsulfinylindole?
The canonical SMILES for 1-[5-(4-chloro-2-pyridinyl)pyrimidin-2-yl]-3-methylsulfinylindole is CS(=O)c1cn(-c2ncc(-c3cc(Cl)ccn3)cn2)c2ccccc12.
What is the InChIKey of 1-[5-(4-chloro-2-pyridinyl)pyrimidin-2-yl]-3-methylsulfinylindole?
The InChIKey is PLEFHCXXHQCIRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13ClN4OS/c1-25(24)17-11-23(16-5-3-2-4-14(16)17)18-21-9-12(10-22-18)15-8-13(19)6-7-20-15/h2-11H,1H3.
What are the key properties of 1-[5-(4-chloro-2-pyridinyl)pyrimidin-2-yl]-3-methylsulfinylindole?
1-[5-(4-chloro-2-pyridinyl)pyrimidin-2-yl]-3-methylsulfinylindole has a molecular weight of 368.85 g/mol, XLogP of 3.87, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(4-chloro-2-pyridinyl)pyrimidin-2-yl]-3-methylsulfinylindole is sourced from PubChem (CID 141472001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).