3-[6-[2-fluoro-4-[2-[[methyl(propyl)amino]methyl]phenyl]phenyl]-7-oxo-6H-imidazo[4,5-c]pyridin-1-yl]benzamide

C30H28FN5O2 — CID 18753709

IUPAC3-[6-[2-fluoro-4-[2-[[methyl(propyl)amino]methyl]phenyl]phenyl]-7-oxo-6H-imidazo[4,5-c]pyridin-1-yl]benzamide
SMILESCCCN(C)Cc1ccccc1-c1ccc(C2N=Cc3ncn(-c4cccc(C(N)=O)c4)c3C2=O)c(F)c1
InChIInChI=1S/C30H28FN5O2/c1-3-13-35(2)17-21-7-4-5-10-23(21)19-11-12-24(25(31)15-19)27-29(37)28-26(16-33-27)34-18-36(28)22-9-6-8-20(14-22)30(32)38/h4-12,14-16,18,27H,3,13,17H2,1-2H3,(H2,32,38)
InChIKeyCTHICSHFFKYHJP-UHFFFAOYSA-N
MW509.59 g/mol
LogP4.98
Rot. Bonds8

About 3-[6-[2-fluoro-4-[2-[[methyl(propyl)amino]methyl]phenyl]phenyl]-7-oxo-6H-imidazo[4,5-c]pyridin-1-yl]benzamide

3-[6-[2-fluoro-4-[2-[[methyl(propyl)amino]methyl]phenyl]phenyl]-7-oxo-6H-imidazo[4,5-c]pyridin-1-yl]benzamide (PubChem CID 18753709) has the molecular formula C30H28FN5O2 and a molecular weight of 509.59 g/mol. Its IUPAC name is 3-[6-[2-fluoro-4-[2-[[methyl(propyl)amino]methyl]phenyl]phenyl]-7-oxo-6H-imidazo[4,5-c]pyridin-1-yl]benzamide.

Molecular Properties

Compound Name3-[6-[2-fluoro-4-[2-[[methyl(propyl)amino]methyl]phenyl]phenyl]-7-oxo-6H-imidazo[4,5-c]pyridin-1-yl]benzamide
PubChem CID18753709
Molecular FormulaC30H28FN5O2
Molecular Weight509.59 g/mol
Exact Mass509.22
IUPAC Name3-[6-[2-fluoro-4-[2-[[methyl(propyl)amino]methyl]phenyl]phenyl]-7-oxo-6H-imidazo[4,5-c]pyridin-1-yl]benzamide
SMILESCCCN(C)Cc1ccccc1-c1ccc(C2N=Cc3ncn(-c4cccc(C(N)=O)c4)c3C2=O)c(F)c1
InChIInChI=1S/C30H28FN5O2/c1-3-13-35(2)17-21-7-4-5-10-23(21)19-11-12-24(25(31)15-19)27-29(37)28-26(16-33-27)34-18-36(28)22-9-6-8-20(14-22)30(32)38/h4-12,14-16,18,27H,3,13,17H2,1-2H3,(H2,32,38)
InChIKeyCTHICSHFFKYHJP-UHFFFAOYSA-N
XLogP4.98
TPSA93.58 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500509.59
LogP ≤ 54.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-[6-[2-fluoro-4-[2-[[methyl(propyl)amino]methyl]phenyl]phenyl]-7-oxo-6H-imidazo[4,5-c]pyridin-1-yl]benzamide?
The IUPAC name of 3-[6-[2-fluoro-4-[2-[[methyl(propyl)amino]methyl]phenyl]phenyl]-7-oxo-6H-imidazo[4,5-c]pyridin-1-yl]benzamide (CID 18753709) is 3-[6-[2-fluoro-4-[2-[[methyl(propyl)amino]methyl]phenyl]phenyl]-7-oxo-6H-imidazo[4,5-c]pyridin-1-yl]benzamide.
What is the SMILES notation for 3-[6-[2-fluoro-4-[2-[[methyl(propyl)amino]methyl]phenyl]phenyl]-7-oxo-6H-imidazo[4,5-c]pyridin-1-yl]benzamide?
The canonical SMILES for 3-[6-[2-fluoro-4-[2-[[methyl(propyl)amino]methyl]phenyl]phenyl]-7-oxo-6H-imidazo[4,5-c]pyridin-1-yl]benzamide is CCCN(C)Cc1ccccc1-c1ccc(C2N=Cc3ncn(-c4cccc(C(N)=O)c4)c3C2=O)c(F)c1.
What is the InChIKey of 3-[6-[2-fluoro-4-[2-[[methyl(propyl)amino]methyl]phenyl]phenyl]-7-oxo-6H-imidazo[4,5-c]pyridin-1-yl]benzamide?
The InChIKey is CTHICSHFFKYHJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H28FN5O2/c1-3-13-35(2)17-21-7-4-5-10-23(21)19-11-12-24(25(31)15-19)27-29(37)28-26(16-33-27)34-18-36(28)22-9-6-8-20(14-22)30(32)38/h4-12,14-16,18,27H,3,13,17H2,1-2H3,(H2,32,38).
What are the key properties of 3-[6-[2-fluoro-4-[2-[[methyl(propyl)amino]methyl]phenyl]phenyl]-7-oxo-6H-imidazo[4,5-c]pyridin-1-yl]benzamide?
3-[6-[2-fluoro-4-[2-[[methyl(propyl)amino]methyl]phenyl]phenyl]-7-oxo-6H-imidazo[4,5-c]pyridin-1-yl]benzamide has a molecular weight of 509.59 g/mol, XLogP of 4.98, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[6-[2-fluoro-4-[2-[[methyl(propyl)amino]methyl]phenyl]phenyl]-7-oxo-6H-imidazo[4,5-c]pyridin-1-yl]benzamide is sourced from PubChem (CID 18753709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).