4-(difluoromethoxy)-2-methyl-3-[[(2R)-1-methylpyrrolidin-2-yl]methyl]-1H-indole

C16H20F2N2O — CID 178091747

IUPAC4-(difluoromethoxy)-2-methyl-3-[[(2R)-1-methylpyrrolidin-2-yl]methyl]-1H-indole
SMILESCc1[nH]c2cccc(OC(F)F)c2c1C[C@H]1CCCN1C
InChIInChI=1S/C16H20F2N2O/c1-10-12(9-11-5-4-8-20(11)2)15-13(19-10)6-3-7-14(15)21-16(17)18/h3,6-7,11,16,19H,4-5,8-9H2,1-2H3/t11-/m1/s1
InChIKeyZXUSQZDQTBKPRS-LLVKDONJSA-N
MW294.34 g/mol
LogP3.71
Rot. Bonds4

About 4-(difluoromethoxy)-2-methyl-3-[[(2R)-1-methylpyrrolidin-2-yl]methyl]-1H-indole

4-(difluoromethoxy)-2-methyl-3-[[(2R)-1-methylpyrrolidin-2-yl]methyl]-1H-indole (PubChem CID 178091747) has the molecular formula C16H20F2N2O and a molecular weight of 294.34 g/mol. Its IUPAC name is 4-(difluoromethoxy)-2-methyl-3-[[(2R)-1-methylpyrrolidin-2-yl]methyl]-1H-indole.

Molecular Properties

Compound Name4-(difluoromethoxy)-2-methyl-3-[[(2R)-1-methylpyrrolidin-2-yl]methyl]-1H-indole
PubChem CID178091747
Molecular FormulaC16H20F2N2O
Molecular Weight294.34 g/mol
Exact Mass294.15
IUPAC Name4-(difluoromethoxy)-2-methyl-3-[[(2R)-1-methylpyrrolidin-2-yl]methyl]-1H-indole
SMILESCc1[nH]c2cccc(OC(F)F)c2c1C[C@H]1CCCN1C
InChIInChI=1S/C16H20F2N2O/c1-10-12(9-11-5-4-8-20(11)2)15-13(19-10)6-3-7-14(15)21-16(17)18/h3,6-7,11,16,19H,4-5,8-9H2,1-2H3/t11-/m1/s1
InChIKeyZXUSQZDQTBKPRS-LLVKDONJSA-N
XLogP3.71
TPSA28.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.34
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-methyl-3-[[(2R)-1-(trideuteriomethyl)pyrrolidin-2-yl]methyl]-4-(trifluoromethoxy)-1H-indole
CID 178091548
4-fluoro-2-methyl-3-[[(2R)-1-(trideuteriomethyl)pyrrolidin-2-yl]methyl]-1H-indole
CID 178091616
2-methyl-3-[[(2R)-1-methylpyrrolidin-2-yl]methyl]-4-methylsulfinyl-1H-indole
CID 178091667
4-methoxy-3-[[(2R)-1-methylpyrrolidin-2-yl]methyl]-2-pyridin-2-yl-1H-indole
CID 178091685
2-cyclopropyl-4-(fluoromethylsulfanyl)-3-[[(2R)-1-methylpyrrolidin-2-yl]methyl]-1H-indole
CID 178091577
[(2S)-1-[2-(4-methoxy-2-methyl-1H-indol-3-yl)ethyl]pyrrolidin-2-yl]methanol
CID 171079902
2-cyclopropyl-4-fluoro-3-[[(2R)-1-(trideuteriomethyl)pyrrolidin-2-yl]methyl]-1H-indole
CID 178091734
4-methoxy-3-[(1-methylpyrrolidin-2-yl)methyl]-1H-indole
CID 170305481
1-O-(3-methyl-1H-indol-4-yl) 4-O-[3-[[(2R)-1-methylpyrrolidin-2-yl]methyl]-1H-indol-4-yl] butanedioate
CID 170760018
5-fluoro-2-methyl-3-[[(2R)-1-(trideuteriomethyl)pyrrolidin-2-yl]methyl]-1H-indole
CID 178091795
[3-[[(2R)-1-methylpyrrolidin-2-yl]methyl]-1H-indol-4-yl] N-[2-[[3-[(1-methylpyrrolidin-2-yl)methyl]-1H-indol-4-yl]oxycarbonylamino]ethyl]carbamate
CID 170760007
5-methoxy-3-[[(2R)-1-methylpyrrolidin-2-yl]methyl]-2-propan-2-yl-1H-indole
CID 178091784

Frequently Asked Questions

What is the IUPAC name of 4-(difluoromethoxy)-2-methyl-3-[[(2R)-1-methylpyrrolidin-2-yl]methyl]-1H-indole?
The IUPAC name of 4-(difluoromethoxy)-2-methyl-3-[[(2R)-1-methylpyrrolidin-2-yl]methyl]-1H-indole (CID 178091747) is 4-(difluoromethoxy)-2-methyl-3-[[(2R)-1-methylpyrrolidin-2-yl]methyl]-1H-indole.
What is the SMILES notation for 4-(difluoromethoxy)-2-methyl-3-[[(2R)-1-methylpyrrolidin-2-yl]methyl]-1H-indole?
The canonical SMILES for 4-(difluoromethoxy)-2-methyl-3-[[(2R)-1-methylpyrrolidin-2-yl]methyl]-1H-indole is Cc1[nH]c2cccc(OC(F)F)c2c1C[C@H]1CCCN1C.
What is the InChIKey of 4-(difluoromethoxy)-2-methyl-3-[[(2R)-1-methylpyrrolidin-2-yl]methyl]-1H-indole?
The InChIKey is ZXUSQZDQTBKPRS-LLVKDONJSA-N. The full InChI is InChI=1S/C16H20F2N2O/c1-10-12(9-11-5-4-8-20(11)2)15-13(19-10)6-3-7-14(15)21-16(17)18/h3,6-7,11,16,19H,4-5,8-9H2,1-2H3/t11-/m1/s1.
What are the key properties of 4-(difluoromethoxy)-2-methyl-3-[[(2R)-1-methylpyrrolidin-2-yl]methyl]-1H-indole?
4-(difluoromethoxy)-2-methyl-3-[[(2R)-1-methylpyrrolidin-2-yl]methyl]-1H-indole has a molecular weight of 294.34 g/mol, XLogP of 3.71, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(difluoromethoxy)-2-methyl-3-[[(2R)-1-methylpyrrolidin-2-yl]methyl]-1H-indole is sourced from PubChem (CID 178091747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).