1-[6-[(4-fluorophenyl)methyl]-3,3-dimethyl-1,2-dihydropyrrolo[3,2-b]pyridin-5-yl]-2-methoxyethanol

C19H23FN2O2 — CID 118170088

IUPAC1-[6-[(4-fluorophenyl)methyl]-3,3-dimethyl-1,2-dihydropyrrolo[3,2-b]pyridin-5-yl]-2-methoxyethanol
SMILESCOCC(O)c1nc2c(cc1Cc1ccc(F)cc1)NCC2(C)C
InChIInChI=1S/C19H23FN2O2/c1-19(2)11-21-15-9-13(8-12-4-6-14(20)7-5-12)17(22-18(15)19)16(23)10-24-3/h4-7,9,16,21,23H,8,10-11H2,1-3H3
InChIKeyKGNYVGKETFWDCV-UHFFFAOYSA-N
MW330.40 g/mol
LogP3.19
Rot. Bonds5

About 1-[6-[(4-fluorophenyl)methyl]-3,3-dimethyl-1,2-dihydropyrrolo[3,2-b]pyridin-5-yl]-2-methoxyethanol

1-[6-[(4-fluorophenyl)methyl]-3,3-dimethyl-1,2-dihydropyrrolo[3,2-b]pyridin-5-yl]-2-methoxyethanol (PubChem CID 118170088) has the molecular formula C19H23FN2O2 and a molecular weight of 330.40 g/mol. Its IUPAC name is 1-[6-[(4-fluorophenyl)methyl]-3,3-dimethyl-1,2-dihydropyrrolo[3,2-b]pyridin-5-yl]-2-methoxyethanol.

Molecular Properties

Compound Name1-[6-[(4-fluorophenyl)methyl]-3,3-dimethyl-1,2-dihydropyrrolo[3,2-b]pyridin-5-yl]-2-methoxyethanol
PubChem CID118170088
Molecular FormulaC19H23FN2O2
Molecular Weight330.40 g/mol
Exact Mass330.17
IUPAC Name1-[6-[(4-fluorophenyl)methyl]-3,3-dimethyl-1,2-dihydropyrrolo[3,2-b]pyridin-5-yl]-2-methoxyethanol
SMILESCOCC(O)c1nc2c(cc1Cc1ccc(F)cc1)NCC2(C)C
InChIInChI=1S/C19H23FN2O2/c1-19(2)11-21-15-9-13(8-12-4-6-14(20)7-5-12)17(22-18(15)19)16(23)10-24-3/h4-7,9,16,21,23H,8,10-11H2,1-3H3
InChIKeyKGNYVGKETFWDCV-UHFFFAOYSA-N
XLogP3.19
TPSA54.38 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.40
LogP ≤ 53.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[6-[(4-fluorophenyl)methyl]-3,3-dimethyl-1,2-dihydropyrrolo[3,2-b]pyridin-5-yl]-2-methoxyethanol?
The IUPAC name of 1-[6-[(4-fluorophenyl)methyl]-3,3-dimethyl-1,2-dihydropyrrolo[3,2-b]pyridin-5-yl]-2-methoxyethanol (CID 118170088) is 1-[6-[(4-fluorophenyl)methyl]-3,3-dimethyl-1,2-dihydropyrrolo[3,2-b]pyridin-5-yl]-2-methoxyethanol.
What is the SMILES notation for 1-[6-[(4-fluorophenyl)methyl]-3,3-dimethyl-1,2-dihydropyrrolo[3,2-b]pyridin-5-yl]-2-methoxyethanol?
The canonical SMILES for 1-[6-[(4-fluorophenyl)methyl]-3,3-dimethyl-1,2-dihydropyrrolo[3,2-b]pyridin-5-yl]-2-methoxyethanol is COCC(O)c1nc2c(cc1Cc1ccc(F)cc1)NCC2(C)C.
What is the InChIKey of 1-[6-[(4-fluorophenyl)methyl]-3,3-dimethyl-1,2-dihydropyrrolo[3,2-b]pyridin-5-yl]-2-methoxyethanol?
The InChIKey is KGNYVGKETFWDCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23FN2O2/c1-19(2)11-21-15-9-13(8-12-4-6-14(20)7-5-12)17(22-18(15)19)16(23)10-24-3/h4-7,9,16,21,23H,8,10-11H2,1-3H3.
What are the key properties of 1-[6-[(4-fluorophenyl)methyl]-3,3-dimethyl-1,2-dihydropyrrolo[3,2-b]pyridin-5-yl]-2-methoxyethanol?
1-[6-[(4-fluorophenyl)methyl]-3,3-dimethyl-1,2-dihydropyrrolo[3,2-b]pyridin-5-yl]-2-methoxyethanol has a molecular weight of 330.40 g/mol, XLogP of 3.19, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-[(4-fluorophenyl)methyl]-3,3-dimethyl-1,2-dihydropyrrolo[3,2-b]pyridin-5-yl]-2-methoxyethanol is sourced from PubChem (CID 118170088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).