6-[2-fluoro-4-[2-(methylaminomethyl)phenyl]phenyl]-1-(4-methoxyphenyl)-5,6-dihydro-4H-imidazo[4,5-c]pyridin-7-one

C27H25FN4O2 — CID 18753801

IUPAC6-[2-fluoro-4-[2-(methylaminomethyl)phenyl]phenyl]-1-(4-methoxyphenyl)-5,6-dihydro-4H-imidazo[4,5-c]pyridin-7-one
SMILESCNCc1ccccc1-c1ccc(C2NCc3ncn(-c4ccc(OC)cc4)c3C2=O)c(F)c1
InChIInChI=1S/C27H25FN4O2/c1-29-14-18-5-3-4-6-21(18)17-7-12-22(23(28)13-17)25-27(33)26-24(15-30-25)31-16-32(26)19-8-10-20(34-2)11-9-19/h3-13,16,25,29-30H,14-15H2,1-2H3
InChIKeyIGWRQOJNLCZEQU-UHFFFAOYSA-N
MW456.52 g/mol
LogP4.43
Rot. Bonds6

About 6-[2-fluoro-4-[2-(methylaminomethyl)phenyl]phenyl]-1-(4-methoxyphenyl)-5,6-dihydro-4H-imidazo[4,5-c]pyridin-7-one

6-[2-fluoro-4-[2-(methylaminomethyl)phenyl]phenyl]-1-(4-methoxyphenyl)-5,6-dihydro-4H-imidazo[4,5-c]pyridin-7-one (PubChem CID 18753801) has the molecular formula C27H25FN4O2 and a molecular weight of 456.52 g/mol. Its IUPAC name is 6-[2-fluoro-4-[2-(methylaminomethyl)phenyl]phenyl]-1-(4-methoxyphenyl)-5,6-dihydro-4H-imidazo[4,5-c]pyridin-7-one.

Molecular Properties

Compound Name6-[2-fluoro-4-[2-(methylaminomethyl)phenyl]phenyl]-1-(4-methoxyphenyl)-5,6-dihydro-4H-imidazo[4,5-c]pyridin-7-one
PubChem CID18753801
Molecular FormulaC27H25FN4O2
Molecular Weight456.52 g/mol
Exact Mass456.20
IUPAC Name6-[2-fluoro-4-[2-(methylaminomethyl)phenyl]phenyl]-1-(4-methoxyphenyl)-5,6-dihydro-4H-imidazo[4,5-c]pyridin-7-one
SMILESCNCc1ccccc1-c1ccc(C2NCc3ncn(-c4ccc(OC)cc4)c3C2=O)c(F)c1
InChIInChI=1S/C27H25FN4O2/c1-29-14-18-5-3-4-6-21(18)17-7-12-22(23(28)13-17)25-27(33)26-24(15-30-25)31-16-32(26)19-8-10-20(34-2)11-9-19/h3-13,16,25,29-30H,14-15H2,1-2H3
InChIKeyIGWRQOJNLCZEQU-UHFFFAOYSA-N
XLogP4.43
TPSA68.18 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500456.52
LogP ≤ 54.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-[2-fluoro-4-[2-(methylaminomethyl)phenyl]phenyl]-1-(4-methoxyphenyl)-5,6-dihydro-4H-imidazo[4,5-c]pyridin-7-one?
The IUPAC name of 6-[2-fluoro-4-[2-(methylaminomethyl)phenyl]phenyl]-1-(4-methoxyphenyl)-5,6-dihydro-4H-imidazo[4,5-c]pyridin-7-one (CID 18753801) is 6-[2-fluoro-4-[2-(methylaminomethyl)phenyl]phenyl]-1-(4-methoxyphenyl)-5,6-dihydro-4H-imidazo[4,5-c]pyridin-7-one.
What is the SMILES notation for 6-[2-fluoro-4-[2-(methylaminomethyl)phenyl]phenyl]-1-(4-methoxyphenyl)-5,6-dihydro-4H-imidazo[4,5-c]pyridin-7-one?
The canonical SMILES for 6-[2-fluoro-4-[2-(methylaminomethyl)phenyl]phenyl]-1-(4-methoxyphenyl)-5,6-dihydro-4H-imidazo[4,5-c]pyridin-7-one is CNCc1ccccc1-c1ccc(C2NCc3ncn(-c4ccc(OC)cc4)c3C2=O)c(F)c1.
What is the InChIKey of 6-[2-fluoro-4-[2-(methylaminomethyl)phenyl]phenyl]-1-(4-methoxyphenyl)-5,6-dihydro-4H-imidazo[4,5-c]pyridin-7-one?
The InChIKey is IGWRQOJNLCZEQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H25FN4O2/c1-29-14-18-5-3-4-6-21(18)17-7-12-22(23(28)13-17)25-27(33)26-24(15-30-25)31-16-32(26)19-8-10-20(34-2)11-9-19/h3-13,16,25,29-30H,14-15H2,1-2H3.
What are the key properties of 6-[2-fluoro-4-[2-(methylaminomethyl)phenyl]phenyl]-1-(4-methoxyphenyl)-5,6-dihydro-4H-imidazo[4,5-c]pyridin-7-one?
6-[2-fluoro-4-[2-(methylaminomethyl)phenyl]phenyl]-1-(4-methoxyphenyl)-5,6-dihydro-4H-imidazo[4,5-c]pyridin-7-one has a molecular weight of 456.52 g/mol, XLogP of 4.43, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-fluoro-4-[2-(methylaminomethyl)phenyl]phenyl]-1-(4-methoxyphenyl)-5,6-dihydro-4H-imidazo[4,5-c]pyridin-7-one is sourced from PubChem (CID 18753801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).