1-(2-methylpyrimidin-4-yl)-4-(4-methylsulfonylpiperidin-1-yl)indole

C19H22N4O2S — CID 70791802

IUPAC1-(2-methylpyrimidin-4-yl)-4-(4-methylsulfonylpiperidin-1-yl)indole
SMILESCc1nccc(-n2ccc3c(N4CCC(S(C)(=O)=O)CC4)cccc32)n1
InChIInChI=1S/C19H22N4O2S/c1-14-20-10-6-19(21-14)23-13-9-16-17(4-3-5-18(16)23)22-11-7-15(8-12-22)26(2,24)25/h3-6,9-10,13,15H,7-8,11-12H2,1-2H3
InChIKeyDBIRKAOFNGJJOX-UHFFFAOYSA-N
MW370.48 g/mol
LogP2.74
Rot. Bonds3

About 1-(2-methylpyrimidin-4-yl)-4-(4-methylsulfonylpiperidin-1-yl)indole

1-(2-methylpyrimidin-4-yl)-4-(4-methylsulfonylpiperidin-1-yl)indole (PubChem CID 70791802) has the molecular formula C19H22N4O2S and a molecular weight of 370.48 g/mol. Its IUPAC name is 1-(2-methylpyrimidin-4-yl)-4-(4-methylsulfonylpiperidin-1-yl)indole.

Molecular Properties

Compound Name1-(2-methylpyrimidin-4-yl)-4-(4-methylsulfonylpiperidin-1-yl)indole
PubChem CID70791802
Molecular FormulaC19H22N4O2S
Molecular Weight370.48 g/mol
Exact Mass370.15
IUPAC Name1-(2-methylpyrimidin-4-yl)-4-(4-methylsulfonylpiperidin-1-yl)indole
SMILESCc1nccc(-n2ccc3c(N4CCC(S(C)(=O)=O)CC4)cccc32)n1
InChIInChI=1S/C19H22N4O2S/c1-14-20-10-6-19(21-14)23-13-9-16-17(4-3-5-18(16)23)22-11-7-15(8-12-22)26(2,24)25/h3-6,9-10,13,15H,7-8,11-12H2,1-2H3
InChIKeyDBIRKAOFNGJJOX-UHFFFAOYSA-N
XLogP2.74
TPSA68.09 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.48
LogP ≤ 52.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

[4-[[4-[4-(4-methylsulfonylpiperidin-1-yl)indol-1-yl]pyrimidin-2-yl]amino]cyclohexyl]-(3,4,6,7-tetrahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)methanone
CID 66940348
4-[1-[2-[[4-(methanesulfonamido)cyclohexyl]amino]pyrimidin-4-yl]indol-4-yl]piperazine-1-carboxamide
CID 50943589
N-[4-[[4-[4-[4-(2-cyanoacetyl)piperazin-1-yl]indol-1-yl]pyrimidin-2-yl]amino]cyclohexyl]methanesulfonamide
CID 50943666
4-[[4-[4-(4-methylsulfonylpiperidin-1-yl)indazol-1-yl]pyrimidin-2-yl]amino]cyclohexane-1-carboxylic acid
CID 140561170
2-[[4-[4-(4-methylsulfonylpiperidin-1-yl)indazol-1-yl]pyrimidin-2-yl]amino]cyclohexan-1-ol
CID 66927065
3-[4-[1-[2-(cyclohexylamino)pyrimidin-4-yl]indol-4-yl]piperazin-1-yl]-3-oxopropanenitrile
CID 50942837
1-(2-methylpyrimidin-4-yl)-4-(3-methylsulfinylpropoxy)indole
CID 143892929
2-methyl-4-(4-phenylpiperidin-1-yl)pyrimidine
CID 136528453
3-[4-[1-[2-[[(1S,3R)-3-hydroxycyclohexyl]amino]pyrimidin-4-yl]indol-4-yl]piperazin-1-yl]-3-oxopropanenitrile
CID 50944009
N-[1-(2-methylpyrimidin-4-yl)piperidin-4-yl]cyclopropanesulfonamide
CID 146079677
2-methyl-6-(4-methylsulfonylpiperidin-1-yl)-N-phenylpyrimidin-4-amine
CID 154780681
4-(4-tert-butylpiperidin-1-yl)-2-methylpyrimidine
CID 58359326

Frequently Asked Questions

What is the IUPAC name of 1-(2-methylpyrimidin-4-yl)-4-(4-methylsulfonylpiperidin-1-yl)indole?
The IUPAC name of 1-(2-methylpyrimidin-4-yl)-4-(4-methylsulfonylpiperidin-1-yl)indole (CID 70791802) is 1-(2-methylpyrimidin-4-yl)-4-(4-methylsulfonylpiperidin-1-yl)indole.
What is the SMILES notation for 1-(2-methylpyrimidin-4-yl)-4-(4-methylsulfonylpiperidin-1-yl)indole?
The canonical SMILES for 1-(2-methylpyrimidin-4-yl)-4-(4-methylsulfonylpiperidin-1-yl)indole is Cc1nccc(-n2ccc3c(N4CCC(S(C)(=O)=O)CC4)cccc32)n1.
What is the InChIKey of 1-(2-methylpyrimidin-4-yl)-4-(4-methylsulfonylpiperidin-1-yl)indole?
The InChIKey is DBIRKAOFNGJJOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N4O2S/c1-14-20-10-6-19(21-14)23-13-9-16-17(4-3-5-18(16)23)22-11-7-15(8-12-22)26(2,24)25/h3-6,9-10,13,15H,7-8,11-12H2,1-2H3.
What are the key properties of 1-(2-methylpyrimidin-4-yl)-4-(4-methylsulfonylpiperidin-1-yl)indole?
1-(2-methylpyrimidin-4-yl)-4-(4-methylsulfonylpiperidin-1-yl)indole has a molecular weight of 370.48 g/mol, XLogP of 2.74, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methylpyrimidin-4-yl)-4-(4-methylsulfonylpiperidin-1-yl)indole is sourced from PubChem (CID 70791802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).