3-[6-[4-[2-(aminomethyl)phenyl]-2-fluorophenyl]-7-oxo-6H-imidazo[4,5-c]pyridin-1-yl]benzamide

C26H20FN5O2 — CID 18753789

IUPAC3-[6-[4-[2-(aminomethyl)phenyl]-2-fluorophenyl]-7-oxo-6H-imidazo[4,5-c]pyridin-1-yl]benzamide
SMILESNCc1ccccc1-c1ccc(C2N=Cc3ncn(-c4cccc(C(N)=O)c4)c3C2=O)c(F)c1
InChIInChI=1S/C26H20FN5O2/c27-21-11-15(19-7-2-1-4-17(19)12-28)8-9-20(21)23-25(33)24-22(13-30-23)31-14-32(24)18-6-3-5-16(10-18)26(29)34/h1-11,13-14,23H,12,28H2,(H2,29,34)
InChIKeyAKODDQSBFJCRFO-UHFFFAOYSA-N
MW453.48 g/mol
LogP3.59
Rot. Bonds5

About 3-[6-[4-[2-(aminomethyl)phenyl]-2-fluorophenyl]-7-oxo-6H-imidazo[4,5-c]pyridin-1-yl]benzamide

3-[6-[4-[2-(aminomethyl)phenyl]-2-fluorophenyl]-7-oxo-6H-imidazo[4,5-c]pyridin-1-yl]benzamide (PubChem CID 18753789) has the molecular formula C26H20FN5O2 and a molecular weight of 453.48 g/mol. Its IUPAC name is 3-[6-[4-[2-(aminomethyl)phenyl]-2-fluorophenyl]-7-oxo-6H-imidazo[4,5-c]pyridin-1-yl]benzamide.

Molecular Properties

Compound Name3-[6-[4-[2-(aminomethyl)phenyl]-2-fluorophenyl]-7-oxo-6H-imidazo[4,5-c]pyridin-1-yl]benzamide
PubChem CID18753789
Molecular FormulaC26H20FN5O2
Molecular Weight453.48 g/mol
Exact Mass453.16
IUPAC Name3-[6-[4-[2-(aminomethyl)phenyl]-2-fluorophenyl]-7-oxo-6H-imidazo[4,5-c]pyridin-1-yl]benzamide
SMILESNCc1ccccc1-c1ccc(C2N=Cc3ncn(-c4cccc(C(N)=O)c4)c3C2=O)c(F)c1
InChIInChI=1S/C26H20FN5O2/c27-21-11-15(19-7-2-1-4-17(19)12-28)8-9-20(21)23-25(33)24-22(13-30-23)31-14-32(24)18-6-3-5-16(10-18)26(29)34/h1-11,13-14,23H,12,28H2,(H2,29,34)
InChIKeyAKODDQSBFJCRFO-UHFFFAOYSA-N
XLogP3.59
TPSA116.36 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500453.48
LogP ≤ 53.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-[6-[4-[2-(aminomethyl)phenyl]-2-fluorophenyl]-7-oxo-6H-imidazo[4,5-c]pyridin-1-yl]benzamide?
The IUPAC name of 3-[6-[4-[2-(aminomethyl)phenyl]-2-fluorophenyl]-7-oxo-6H-imidazo[4,5-c]pyridin-1-yl]benzamide (CID 18753789) is 3-[6-[4-[2-(aminomethyl)phenyl]-2-fluorophenyl]-7-oxo-6H-imidazo[4,5-c]pyridin-1-yl]benzamide.
What is the SMILES notation for 3-[6-[4-[2-(aminomethyl)phenyl]-2-fluorophenyl]-7-oxo-6H-imidazo[4,5-c]pyridin-1-yl]benzamide?
The canonical SMILES for 3-[6-[4-[2-(aminomethyl)phenyl]-2-fluorophenyl]-7-oxo-6H-imidazo[4,5-c]pyridin-1-yl]benzamide is NCc1ccccc1-c1ccc(C2N=Cc3ncn(-c4cccc(C(N)=O)c4)c3C2=O)c(F)c1.
What is the InChIKey of 3-[6-[4-[2-(aminomethyl)phenyl]-2-fluorophenyl]-7-oxo-6H-imidazo[4,5-c]pyridin-1-yl]benzamide?
The InChIKey is AKODDQSBFJCRFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H20FN5O2/c27-21-11-15(19-7-2-1-4-17(19)12-28)8-9-20(21)23-25(33)24-22(13-30-23)31-14-32(24)18-6-3-5-16(10-18)26(29)34/h1-11,13-14,23H,12,28H2,(H2,29,34).
What are the key properties of 3-[6-[4-[2-(aminomethyl)phenyl]-2-fluorophenyl]-7-oxo-6H-imidazo[4,5-c]pyridin-1-yl]benzamide?
3-[6-[4-[2-(aminomethyl)phenyl]-2-fluorophenyl]-7-oxo-6H-imidazo[4,5-c]pyridin-1-yl]benzamide has a molecular weight of 453.48 g/mol, XLogP of 3.59, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[6-[4-[2-(aminomethyl)phenyl]-2-fluorophenyl]-7-oxo-6H-imidazo[4,5-c]pyridin-1-yl]benzamide is sourced from PubChem (CID 18753789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).