1-[3-(aminomethyl)phenyl]-6-[2-fluoro-4-[2-(methylaminomethyl)phenyl]phenyl]-6H-imidazo[4,5-c]pyridin-7-one

C27H24FN5O — CID 18753771

IUPAC1-[3-(aminomethyl)phenyl]-6-[2-fluoro-4-[2-(methylaminomethyl)phenyl]phenyl]-6H-imidazo[4,5-c]pyridin-7-one
SMILESCNCc1ccccc1-c1ccc(C2N=Cc3ncn(-c4cccc(CN)c4)c3C2=O)c(F)c1
InChIInChI=1S/C27H24FN5O/c1-30-14-19-6-2-3-8-21(19)18-9-10-22(23(28)12-18)25-27(34)26-24(15-31-25)32-16-33(26)20-7-4-5-17(11-20)13-29/h2-12,15-16,25,30H,13-14,29H2,1H3
InChIKeyWFAAIIOZXZSFFW-UHFFFAOYSA-N
MW453.52 g/mol
LogP4.21
Rot. Bonds6

About 1-[3-(aminomethyl)phenyl]-6-[2-fluoro-4-[2-(methylaminomethyl)phenyl]phenyl]-6H-imidazo[4,5-c]pyridin-7-one

1-[3-(aminomethyl)phenyl]-6-[2-fluoro-4-[2-(methylaminomethyl)phenyl]phenyl]-6H-imidazo[4,5-c]pyridin-7-one (PubChem CID 18753771) has the molecular formula C27H24FN5O and a molecular weight of 453.52 g/mol. Its IUPAC name is 1-[3-(aminomethyl)phenyl]-6-[2-fluoro-4-[2-(methylaminomethyl)phenyl]phenyl]-6H-imidazo[4,5-c]pyridin-7-one.

Molecular Properties

Compound Name1-[3-(aminomethyl)phenyl]-6-[2-fluoro-4-[2-(methylaminomethyl)phenyl]phenyl]-6H-imidazo[4,5-c]pyridin-7-one
PubChem CID18753771
Molecular FormulaC27H24FN5O
Molecular Weight453.52 g/mol
Exact Mass453.20
IUPAC Name1-[3-(aminomethyl)phenyl]-6-[2-fluoro-4-[2-(methylaminomethyl)phenyl]phenyl]-6H-imidazo[4,5-c]pyridin-7-one
SMILESCNCc1ccccc1-c1ccc(C2N=Cc3ncn(-c4cccc(CN)c4)c3C2=O)c(F)c1
InChIInChI=1S/C27H24FN5O/c1-30-14-19-6-2-3-8-21(19)18-9-10-22(23(28)12-18)25-27(34)26-24(15-31-25)32-16-33(26)20-7-4-5-17(11-20)13-29/h2-12,15-16,25,30H,13-14,29H2,1H3
InChIKeyWFAAIIOZXZSFFW-UHFFFAOYSA-N
XLogP4.21
TPSA85.30 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500453.52
LogP ≤ 54.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[3-(aminomethyl)phenyl]-6-[2-fluoro-4-[2-(methylaminomethyl)phenyl]phenyl]-6H-imidazo[4,5-c]pyridin-7-one?
The IUPAC name of 1-[3-(aminomethyl)phenyl]-6-[2-fluoro-4-[2-(methylaminomethyl)phenyl]phenyl]-6H-imidazo[4,5-c]pyridin-7-one (CID 18753771) is 1-[3-(aminomethyl)phenyl]-6-[2-fluoro-4-[2-(methylaminomethyl)phenyl]phenyl]-6H-imidazo[4,5-c]pyridin-7-one.
What is the SMILES notation for 1-[3-(aminomethyl)phenyl]-6-[2-fluoro-4-[2-(methylaminomethyl)phenyl]phenyl]-6H-imidazo[4,5-c]pyridin-7-one?
The canonical SMILES for 1-[3-(aminomethyl)phenyl]-6-[2-fluoro-4-[2-(methylaminomethyl)phenyl]phenyl]-6H-imidazo[4,5-c]pyridin-7-one is CNCc1ccccc1-c1ccc(C2N=Cc3ncn(-c4cccc(CN)c4)c3C2=O)c(F)c1.
What is the InChIKey of 1-[3-(aminomethyl)phenyl]-6-[2-fluoro-4-[2-(methylaminomethyl)phenyl]phenyl]-6H-imidazo[4,5-c]pyridin-7-one?
The InChIKey is WFAAIIOZXZSFFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H24FN5O/c1-30-14-19-6-2-3-8-21(19)18-9-10-22(23(28)12-18)25-27(34)26-24(15-31-25)32-16-33(26)20-7-4-5-17(11-20)13-29/h2-12,15-16,25,30H,13-14,29H2,1H3.
What are the key properties of 1-[3-(aminomethyl)phenyl]-6-[2-fluoro-4-[2-(methylaminomethyl)phenyl]phenyl]-6H-imidazo[4,5-c]pyridin-7-one?
1-[3-(aminomethyl)phenyl]-6-[2-fluoro-4-[2-(methylaminomethyl)phenyl]phenyl]-6H-imidazo[4,5-c]pyridin-7-one has a molecular weight of 453.52 g/mol, XLogP of 4.21, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(aminomethyl)phenyl]-6-[2-fluoro-4-[2-(methylaminomethyl)phenyl]phenyl]-6H-imidazo[4,5-c]pyridin-7-one is sourced from PubChem (CID 18753771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).