6-fluoro-2-[[1-(2-methoxyethyl)-5-methylimidazol-4-yl]methyl]-5-methyl-3,4-dihydropyrido[4,3-b]indol-1-one

C20H23FN4O2 — CID 19799281

IUPAC6-fluoro-2-[[1-(2-methoxyethyl)-5-methylimidazol-4-yl]methyl]-5-methyl-3,4-dihydropyrido[4,3-b]indol-1-one
SMILESCOCCn1cnc(CN2CCc3c(c4cccc(F)c4n3C)C2=O)c1C
InChIInChI=1S/C20H23FN4O2/c1-13-16(22-12-25(13)9-10-27-3)11-24-8-7-17-18(20(24)26)14-5-4-6-15(21)19(14)23(17)2/h4-6,12H,7-11H2,1-3H3
InChIKeyGNKRXGVPWKFXJY-UHFFFAOYSA-N
MW370.43 g/mol
LogP2.67
Rot. Bonds5

About 6-fluoro-2-[[1-(2-methoxyethyl)-5-methylimidazol-4-yl]methyl]-5-methyl-3,4-dihydropyrido[4,3-b]indol-1-one

6-fluoro-2-[[1-(2-methoxyethyl)-5-methylimidazol-4-yl]methyl]-5-methyl-3,4-dihydropyrido[4,3-b]indol-1-one (PubChem CID 19799281) has the molecular formula C20H23FN4O2 and a molecular weight of 370.43 g/mol. Its IUPAC name is 6-fluoro-2-[[1-(2-methoxyethyl)-5-methylimidazol-4-yl]methyl]-5-methyl-3,4-dihydropyrido[4,3-b]indol-1-one.

Molecular Properties

Compound Name6-fluoro-2-[[1-(2-methoxyethyl)-5-methylimidazol-4-yl]methyl]-5-methyl-3,4-dihydropyrido[4,3-b]indol-1-one
PubChem CID19799281
Molecular FormulaC20H23FN4O2
Molecular Weight370.43 g/mol
Exact Mass370.18
IUPAC Name6-fluoro-2-[[1-(2-methoxyethyl)-5-methylimidazol-4-yl]methyl]-5-methyl-3,4-dihydropyrido[4,3-b]indol-1-one
SMILESCOCCn1cnc(CN2CCc3c(c4cccc(F)c4n3C)C2=O)c1C
InChIInChI=1S/C20H23FN4O2/c1-13-16(22-12-25(13)9-10-27-3)11-24-8-7-17-18(20(24)26)14-5-4-6-15(21)19(14)23(17)2/h4-6,12H,7-11H2,1-3H3
InChIKeyGNKRXGVPWKFXJY-UHFFFAOYSA-N
XLogP2.67
TPSA52.29 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.43
LogP ≤ 52.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

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CID 10602310
6-(4-Fluoro-phenyl)-3-(4-(2-methyl-imidazo[4,5-c]pyridin-3-ylmethyl)-benzoyl)-indole-1-carboxylic acid dimethylamide
CID 10602311
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CID 10625893
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Frequently Asked Questions

What is the IUPAC name of 6-fluoro-2-[[1-(2-methoxyethyl)-5-methylimidazol-4-yl]methyl]-5-methyl-3,4-dihydropyrido[4,3-b]indol-1-one?
The IUPAC name of 6-fluoro-2-[[1-(2-methoxyethyl)-5-methylimidazol-4-yl]methyl]-5-methyl-3,4-dihydropyrido[4,3-b]indol-1-one (CID 19799281) is 6-fluoro-2-[[1-(2-methoxyethyl)-5-methylimidazol-4-yl]methyl]-5-methyl-3,4-dihydropyrido[4,3-b]indol-1-one.
What is the SMILES notation for 6-fluoro-2-[[1-(2-methoxyethyl)-5-methylimidazol-4-yl]methyl]-5-methyl-3,4-dihydropyrido[4,3-b]indol-1-one?
The canonical SMILES for 6-fluoro-2-[[1-(2-methoxyethyl)-5-methylimidazol-4-yl]methyl]-5-methyl-3,4-dihydropyrido[4,3-b]indol-1-one is COCCn1cnc(CN2CCc3c(c4cccc(F)c4n3C)C2=O)c1C.
What is the InChIKey of 6-fluoro-2-[[1-(2-methoxyethyl)-5-methylimidazol-4-yl]methyl]-5-methyl-3,4-dihydropyrido[4,3-b]indol-1-one?
The InChIKey is GNKRXGVPWKFXJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23FN4O2/c1-13-16(22-12-25(13)9-10-27-3)11-24-8-7-17-18(20(24)26)14-5-4-6-15(21)19(14)23(17)2/h4-6,12H,7-11H2,1-3H3.
What are the key properties of 6-fluoro-2-[[1-(2-methoxyethyl)-5-methylimidazol-4-yl]methyl]-5-methyl-3,4-dihydropyrido[4,3-b]indol-1-one?
6-fluoro-2-[[1-(2-methoxyethyl)-5-methylimidazol-4-yl]methyl]-5-methyl-3,4-dihydropyrido[4,3-b]indol-1-one has a molecular weight of 370.43 g/mol, XLogP of 2.67, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-2-[[1-(2-methoxyethyl)-5-methylimidazol-4-yl]methyl]-5-methyl-3,4-dihydropyrido[4,3-b]indol-1-one is sourced from PubChem (CID 19799281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).