2-cyclohexyl-5-fluoro-4-(5-fluoro-2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridine;methane

C21H24F2N2O — CID 170620327

IUPAC2-cyclohexyl-5-fluoro-4-(5-fluoro-2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridine;methane
SMILESC.COc1ccc(F)cc1-c1c(F)cnc2[nH]c(C3CCCCC3)cc12
InChIInChI=1S/C20H20F2N2O.CH4/c1-25-18-8-7-13(21)9-14(18)19-15-10-17(12-5-3-2-4-6-12)24-20(15)23-11-16(19)22;/h7-12H,2-6H2,1H3,(H,23,24);1H4
InChIKeyURYOSYQJPYXWQM-UHFFFAOYSA-N
MW358.43 g/mol
LogP6.20
Rot. Bonds3

About 2-cyclohexyl-5-fluoro-4-(5-fluoro-2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridine;methane

2-cyclohexyl-5-fluoro-4-(5-fluoro-2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridine;methane (PubChem CID 170620327) has the molecular formula C21H24F2N2O and a molecular weight of 358.43 g/mol. Its IUPAC name is 2-cyclohexyl-5-fluoro-4-(5-fluoro-2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridine;methane.

Molecular Properties

Compound Name2-cyclohexyl-5-fluoro-4-(5-fluoro-2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridine;methane
PubChem CID170620327
Molecular FormulaC21H24F2N2O
Molecular Weight358.43 g/mol
Exact Mass358.19
IUPAC Name2-cyclohexyl-5-fluoro-4-(5-fluoro-2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridine;methane
SMILESC.COc1ccc(F)cc1-c1c(F)cnc2[nH]c(C3CCCCC3)cc12
InChIInChI=1S/C20H20F2N2O.CH4/c1-25-18-8-7-13(21)9-14(18)19-15-10-17(12-5-3-2-4-6-12)24-20(15)23-11-16(19)22;/h7-12H,2-6H2,1H3,(H,23,24);1H4
InChIKeyURYOSYQJPYXWQM-UHFFFAOYSA-N
XLogP6.20
TPSA37.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500358.43
LogP ≤ 56.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-fluoro-4-(5-fluoro-2-methoxyphenyl)-2-piperidin-4-yl-1H-pyrrolo[2,3-b]pyridine
CID 90412385
methyl 2-[4-[4-[5-fluoro-4-(5-fluoro-2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-2-yl]piperidin-1-yl]cyclohexyl]acetate
CID 90420397
2-[4-[5-fluoro-4-(5-fluoro-2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-2-yl]piperidin-1-yl]-1-(3-hydroxyazetidin-1-yl)ethanone
CID 90412618
2-(azepan-3-yl)-4-(5-fluoro-2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridine
CID 90413024
2-[4-[5-cyano-4-(5-fluoro-2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-2-yl]piperidin-1-yl]acetamide
CID 118897199
5-fluoro-4-(5-fluoro-2-methoxyphenyl)-2-(1-methylsulfonyl-3,6-dihydro-2H-pyridin-4-yl)-1H-pyrrolo[2,3-b]pyridine
CID 90419558
4-(5-fluoro-2-methoxyphenyl)-2-(1-methylpyrrolidin-3-yl)-1H-pyrrolo[2,3-b]pyridine
CID 90412305
2-[3-[4-(5-fluoro-2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-2-yl]piperidin-1-yl]ethanol
CID 90412418
dichloromethane;2-[3-[4-(5-fluoro-2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-2-yl]piperidin-1-yl]ethanol
CID 159797717
N-ethyl-4-[4-(5-fluoro-2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-2-yl]piperidine-1-sulfonamide
CID 90420133
3-[[4-[4-(5-fluoro-2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-2-yl]cyclohexyl]amino]propane-1,2-diol
CID 90412932
N-cyano-4-[5-fluoro-4-(5-fluoro-2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-2-yl]-3,6-dihydro-2H-pyridine-1-carboxamide
CID 90420079

Frequently Asked Questions

What is the IUPAC name of 2-cyclohexyl-5-fluoro-4-(5-fluoro-2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridine;methane?
The IUPAC name of 2-cyclohexyl-5-fluoro-4-(5-fluoro-2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridine;methane (CID 170620327) is 2-cyclohexyl-5-fluoro-4-(5-fluoro-2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridine;methane.
What is the SMILES notation for 2-cyclohexyl-5-fluoro-4-(5-fluoro-2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridine;methane?
The canonical SMILES for 2-cyclohexyl-5-fluoro-4-(5-fluoro-2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridine;methane is C.COc1ccc(F)cc1-c1c(F)cnc2[nH]c(C3CCCCC3)cc12.
What is the InChIKey of 2-cyclohexyl-5-fluoro-4-(5-fluoro-2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridine;methane?
The InChIKey is URYOSYQJPYXWQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20F2N2O.CH4/c1-25-18-8-7-13(21)9-14(18)19-15-10-17(12-5-3-2-4-6-12)24-20(15)23-11-16(19)22;/h7-12H,2-6H2,1H3,(H,23,24);1H4.
What are the key properties of 2-cyclohexyl-5-fluoro-4-(5-fluoro-2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridine;methane?
2-cyclohexyl-5-fluoro-4-(5-fluoro-2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridine;methane has a molecular weight of 358.43 g/mol, XLogP of 6.20, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexyl-5-fluoro-4-(5-fluoro-2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridine;methane is sourced from PubChem (CID 170620327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).