5-(3-cyclopropylsulfinylphenyl)-8-methoxy-3-methyl-9H-pyrido[2,3-b]indole

C22H20N2O2S — CID 143656856

IUPAC5-(3-cyclopropylsulfinylphenyl)-8-methoxy-3-methyl-9H-pyrido[2,3-b]indole
SMILESCOc1ccc(-c2cccc(S(=O)C3CC3)c2)c2c1[nH]c1ncc(C)cc12
InChIInChI=1S/C22H20N2O2S/c1-13-10-18-20-17(8-9-19(26-2)21(20)24-22(18)23-12-13)14-4-3-5-16(11-14)27(25)15-6-7-15/h3-5,8-12,15H,6-7H2,1-2H3,(H,23,24)
InChIKeyJAWWDZPNNIFNRR-UHFFFAOYSA-N
MW376.48 g/mol
LogP4.97
Rot. Bonds4

About 5-(3-cyclopropylsulfinylphenyl)-8-methoxy-3-methyl-9H-pyrido[2,3-b]indole

5-(3-cyclopropylsulfinylphenyl)-8-methoxy-3-methyl-9H-pyrido[2,3-b]indole (PubChem CID 143656856) has the molecular formula C22H20N2O2S and a molecular weight of 376.48 g/mol. Its IUPAC name is 5-(3-cyclopropylsulfinylphenyl)-8-methoxy-3-methyl-9H-pyrido[2,3-b]indole.

Molecular Properties

Compound Name5-(3-cyclopropylsulfinylphenyl)-8-methoxy-3-methyl-9H-pyrido[2,3-b]indole
PubChem CID143656856
Molecular FormulaC22H20N2O2S
Molecular Weight376.48 g/mol
Exact Mass376.12
IUPAC Name5-(3-cyclopropylsulfinylphenyl)-8-methoxy-3-methyl-9H-pyrido[2,3-b]indole
SMILESCOc1ccc(-c2cccc(S(=O)C3CC3)c2)c2c1[nH]c1ncc(C)cc12
InChIInChI=1S/C22H20N2O2S/c1-13-10-18-20-17(8-9-19(26-2)21(20)24-22(18)23-12-13)14-4-3-5-16(11-14)27(25)15-6-7-15/h3-5,8-12,15H,6-7H2,1-2H3,(H,23,24)
InChIKeyJAWWDZPNNIFNRR-UHFFFAOYSA-N
XLogP4.97
TPSA54.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.48
LogP ≤ 54.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

8-butoxy-5-(3-cyclopropylsulfinylphenyl)-3-methyl-9H-pyrido[2,3-b]indole;ethane
CID 143880504
1-[[5-(3-cyclopropylsulfinylphenyl)-3-methyl-9H-pyrido[2,3-b]indol-8-yl]oxy]-3-(dimethylamino)propan-2-ol
CID 143656970
[(Z)-2-amino-3-[3-[[5-(3-cyclopropylsulfinylphenyl)-3-methyl-9H-pyrido[2,3-b]indol-8-yl]oxy]propyl-ethenylamino]prop-2-enyl] dihydrogen phosphate
CID 89106021
5-(1-cyclopropyl-2H-pyridin-4-yl)-8-methoxy-3-methyl-9H-pyrido[2,3-b]indole
CID 141177271
1-[2-[[3-methyl-5-(3-methylphenyl)-9H-pyrido[2,3-b]indol-8-yl]oxy]ethyl]piperidin-4-ol
CID 143656922
N-cyclopropyl-N-[3-[3-methyl-8-[(1-methylpiperidin-4-yl)methoxy]-9H-pyrido[2,3-b]indol-5-yl]phenyl]formamide
CID 141247930
1-[2-[[5-(3-hydroxyphenyl)-3-methyl-9H-pyrido[2,3-b]indol-8-yl]oxy]ethyl]piperidin-4-ol;methoxycyclopropane
CID 143666336
8-butoxy-3-chloro-5-(3-ethylsulfinylphenyl)-9H-pyrido[2,3-b]indole;ethane
CID 143657032
3-[8-[3-(dimethylamino)propoxy]-3-methyl-9H-pyrido[2,3-b]indol-5-yl]-N,N-dimethylbenzenesulfonamide
CID 58880084
3-[[5-(3-cyclopropylsulfonylphenyl)-3-methyl-9H-pyrido[2,3-b]indol-8-yl]oxy]-N-(2-dimethylphosphoryloxyethyl)-N-ethylpropan-1-amine;2-[3-[[5-(3-cyclopropylsulfonylphenyl)-3-methyl-9H-pyrido[2,3-b]indol-8-yl]oxy]propyl-ethylamino]ethyl dihydrogen phosphate
CID 161424471
(6S)-6-[[5-(3-cyclopropylsulfonylphenyl)-3-methyl-9H-pyrido[2,3-b]indol-8-yl]oxymethyl]-4-methyl-1,3,2,4-dioxathiazinane 2,2-dioxide
CID 89072171
8-but-3-ynoxy-5-(3-ethylsulfonylphenyl)-3-methyl-9H-pyrido[2,3-b]indole
CID 88587524

Frequently Asked Questions

What is the IUPAC name of 5-(3-cyclopropylsulfinylphenyl)-8-methoxy-3-methyl-9H-pyrido[2,3-b]indole?
The IUPAC name of 5-(3-cyclopropylsulfinylphenyl)-8-methoxy-3-methyl-9H-pyrido[2,3-b]indole (CID 143656856) is 5-(3-cyclopropylsulfinylphenyl)-8-methoxy-3-methyl-9H-pyrido[2,3-b]indole.
What is the SMILES notation for 5-(3-cyclopropylsulfinylphenyl)-8-methoxy-3-methyl-9H-pyrido[2,3-b]indole?
The canonical SMILES for 5-(3-cyclopropylsulfinylphenyl)-8-methoxy-3-methyl-9H-pyrido[2,3-b]indole is COc1ccc(-c2cccc(S(=O)C3CC3)c2)c2c1[nH]c1ncc(C)cc12.
What is the InChIKey of 5-(3-cyclopropylsulfinylphenyl)-8-methoxy-3-methyl-9H-pyrido[2,3-b]indole?
The InChIKey is JAWWDZPNNIFNRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N2O2S/c1-13-10-18-20-17(8-9-19(26-2)21(20)24-22(18)23-12-13)14-4-3-5-16(11-14)27(25)15-6-7-15/h3-5,8-12,15H,6-7H2,1-2H3,(H,23,24).
What are the key properties of 5-(3-cyclopropylsulfinylphenyl)-8-methoxy-3-methyl-9H-pyrido[2,3-b]indole?
5-(3-cyclopropylsulfinylphenyl)-8-methoxy-3-methyl-9H-pyrido[2,3-b]indole has a molecular weight of 376.48 g/mol, XLogP of 4.97, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-cyclopropylsulfinylphenyl)-8-methoxy-3-methyl-9H-pyrido[2,3-b]indole is sourced from PubChem (CID 143656856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).