2-[[4-(2,2-difluoropropoxy)-3-methyl-2-pyridinyl]methylsulfinyl]-3H-indole

C18H18F2N2O2S — CID 158116652

IUPAC2-[[4-(2,2-difluoropropoxy)-3-methyl-2-pyridinyl]methylsulfinyl]-3H-indole
SMILESCc1c(OCC(C)(F)F)ccnc1CS(=O)C1=Nc2ccccc2C1
InChIInChI=1S/C18H18F2N2O2S/c1-12-15(21-8-7-16(12)24-11-18(2,19)20)10-25(23)17-9-13-5-3-4-6-14(13)22-17/h3-8H,9-11H2,1-2H3
InChIKeyKJMQDGCUJXLJAL-UHFFFAOYSA-N
MW364.42 g/mol
LogP3.96
Rot. Bonds5

About 2-[[4-(2,2-difluoropropoxy)-3-methyl-2-pyridinyl]methylsulfinyl]-3H-indole

2-[[4-(2,2-difluoropropoxy)-3-methyl-2-pyridinyl]methylsulfinyl]-3H-indole (PubChem CID 158116652) has the molecular formula C18H18F2N2O2S and a molecular weight of 364.42 g/mol. Its IUPAC name is 2-[[4-(2,2-difluoropropoxy)-3-methyl-2-pyridinyl]methylsulfinyl]-3H-indole.

Molecular Properties

Compound Name2-[[4-(2,2-difluoropropoxy)-3-methyl-2-pyridinyl]methylsulfinyl]-3H-indole
PubChem CID158116652
Molecular FormulaC18H18F2N2O2S
Molecular Weight364.42 g/mol
Exact Mass364.11
IUPAC Name2-[[4-(2,2-difluoropropoxy)-3-methyl-2-pyridinyl]methylsulfinyl]-3H-indole
SMILESCc1c(OCC(C)(F)F)ccnc1CS(=O)C1=Nc2ccccc2C1
InChIInChI=1S/C18H18F2N2O2S/c1-12-15(21-8-7-16(12)24-11-18(2,19)20)10-25(23)17-9-13-5-3-4-6-14(13)22-17/h3-8H,9-11H2,1-2H3
InChIKeyKJMQDGCUJXLJAL-UHFFFAOYSA-N
XLogP3.96
TPSA51.55 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.42
LogP ≤ 53.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Launch Full Analysis

Related Compounds

2-[(S)-[4-[(2,2-dimethyl-1,3-dioxan-5-yl)methoxy]-3,5-dimethyl-2-pyridinyl]methylsulfinyl]-3H-indole
CID 69064647
bis(2-[[3-methyl-4-(2,2,2-trifluoroethoxy)-2-pyridinyl]methylsulfinyl]-1H-benzimidazole);sulfane
CID 87220564
2-[[3-methyl-4-(2,2,2-trifluoroethoxy)-2-pyridinyl]methylsulfinyl]-1H-benzimidazole;hydrate
CID 19598444
methanamine;2-[[3-methyl-4-(2,2,2-trifluoroethoxy)-2-pyridinyl]methylsulfinyl]-1H-benzimidazole
CID 142854195
2-[[2-[(R)-[4-(2,2-difluoropropoxy)-3-methyl-2-pyridinyl]methylsulfinyl]benzimidazole-1-carbonyl]-methylamino]ethyl benzoate
CID 59547400
2-[[(1S)-cyclohexa-2,4-dien-1-yl]sulfinylmethyl]-3-methyl-4-(2,2,2-trifluoroethoxy)pyridine
CID 141290682
2-[[3-methyl-4-(2,2,2-trifluoroethoxy)-2-pyridinyl]methylsulfinyl]-1H-benzimidazole;1H-pyrrole
CID 141271129
disodium;2-[(4,5-dimethoxy-3-methyl-2-pyridinyl)methylsulfinyl]-6-methoxy-1H-benzimidazole;bis(6-methoxy-2-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methylsulfinyl]-1H-benzimidazole);2-[[4-[(Z)-3-methoxyprop-2-enoxy]-3-methyl-2-pyridinyl]methylsulfinyl]-3H-indole;2-[[5-methyl-4-(trifluoromethoxy)-2-pyridinyl]methylsulfinyl]-1H-benzimidazole
CID 163828812
2-[(R)-[3-methyl-4-(2,2,2-trifluoroethoxy)-2-pyridinyl]methylsulfinyl]-1H-benzimidazole;propan-2-amine
CID 50923452
ethane-1,2-diol;2-[(R)-[3-methyl-4-(2,2,2-trifluoroethoxy)-2-pyridinyl]methylsulfinyl]-1H-benzimidazole;hydrate
CID 53356984
2-[2-[[3-methyl-4-(2,2,2-trifluoroethoxy)-2-pyridinyl]methylsulfinyl]benzimidazol-1-yl]ethanol
CID 67041377
potassium;hydrogen carbonate;2-[[3-methyl-4-(2,2,2-trifluoroethoxy)-2-pyridinyl]methylsulfinyl]-1H-benzimidazole
CID 71474489

Frequently Asked Questions

What is the IUPAC name of 2-[[4-(2,2-difluoropropoxy)-3-methyl-2-pyridinyl]methylsulfinyl]-3H-indole?
The IUPAC name of 2-[[4-(2,2-difluoropropoxy)-3-methyl-2-pyridinyl]methylsulfinyl]-3H-indole (CID 158116652) is 2-[[4-(2,2-difluoropropoxy)-3-methyl-2-pyridinyl]methylsulfinyl]-3H-indole.
What is the SMILES notation for 2-[[4-(2,2-difluoropropoxy)-3-methyl-2-pyridinyl]methylsulfinyl]-3H-indole?
The canonical SMILES for 2-[[4-(2,2-difluoropropoxy)-3-methyl-2-pyridinyl]methylsulfinyl]-3H-indole is Cc1c(OCC(C)(F)F)ccnc1CS(=O)C1=Nc2ccccc2C1.
What is the InChIKey of 2-[[4-(2,2-difluoropropoxy)-3-methyl-2-pyridinyl]methylsulfinyl]-3H-indole?
The InChIKey is KJMQDGCUJXLJAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18F2N2O2S/c1-12-15(21-8-7-16(12)24-11-18(2,19)20)10-25(23)17-9-13-5-3-4-6-14(13)22-17/h3-8H,9-11H2,1-2H3.
What are the key properties of 2-[[4-(2,2-difluoropropoxy)-3-methyl-2-pyridinyl]methylsulfinyl]-3H-indole?
2-[[4-(2,2-difluoropropoxy)-3-methyl-2-pyridinyl]methylsulfinyl]-3H-indole has a molecular weight of 364.42 g/mol, XLogP of 3.96, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-(2,2-difluoropropoxy)-3-methyl-2-pyridinyl]methylsulfinyl]-3H-indole is sourced from PubChem (CID 158116652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).