1-[3-(aminomethyl)phenyl]-6-[2-fluoro-4-(2-methylimidazol-1-yl)phenyl]imidazo[4,5-c]pyridin-7-ol

C23H19FN6O — CID 91363807

IUPAC1-[3-(aminomethyl)phenyl]-6-[2-fluoro-4-(2-methylimidazol-1-yl)phenyl]imidazo[4,5-c]pyridin-7-ol
SMILESCc1nccn1-c1ccc(-c2ncc3ncn(-c4cccc(CN)c4)c3c2O)c(F)c1
InChIInChI=1S/C23H19FN6O/c1-14-26-7-8-29(14)17-5-6-18(19(24)10-17)21-23(31)22-20(12-27-21)28-13-30(22)16-4-2-3-15(9-16)11-25/h2-10,12-13,31H,11,25H2,1H3
InChIKeyCEFNGLKPLPNIJA-UHFFFAOYSA-N
MW414.44 g/mol
LogP3.89
Rot. Bonds4

About 1-[3-(aminomethyl)phenyl]-6-[2-fluoro-4-(2-methylimidazol-1-yl)phenyl]imidazo[4,5-c]pyridin-7-ol

1-[3-(aminomethyl)phenyl]-6-[2-fluoro-4-(2-methylimidazol-1-yl)phenyl]imidazo[4,5-c]pyridin-7-ol (PubChem CID 91363807) has the molecular formula C23H19FN6O and a molecular weight of 414.44 g/mol. Its IUPAC name is 1-[3-(aminomethyl)phenyl]-6-[2-fluoro-4-(2-methylimidazol-1-yl)phenyl]imidazo[4,5-c]pyridin-7-ol.

Molecular Properties

Compound Name1-[3-(aminomethyl)phenyl]-6-[2-fluoro-4-(2-methylimidazol-1-yl)phenyl]imidazo[4,5-c]pyridin-7-ol
PubChem CID91363807
Molecular FormulaC23H19FN6O
Molecular Weight414.44 g/mol
Exact Mass414.16
IUPAC Name1-[3-(aminomethyl)phenyl]-6-[2-fluoro-4-(2-methylimidazol-1-yl)phenyl]imidazo[4,5-c]pyridin-7-ol
SMILESCc1nccn1-c1ccc(-c2ncc3ncn(-c4cccc(CN)c4)c3c2O)c(F)c1
InChIInChI=1S/C23H19FN6O/c1-14-26-7-8-29(14)17-5-6-18(19(24)10-17)21-23(31)22-20(12-27-21)28-13-30(22)16-4-2-3-15(9-16)11-25/h2-10,12-13,31H,11,25H2,1H3
InChIKeyCEFNGLKPLPNIJA-UHFFFAOYSA-N
XLogP3.89
TPSA94.78 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.44
LogP ≤ 53.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-[3-(aminomethyl)phenyl]-6-[2-fluoro-4-(2-methylimidazol-1-yl)phenyl]imidazo[4,5-c]pyridin-7-ol?
The IUPAC name of 1-[3-(aminomethyl)phenyl]-6-[2-fluoro-4-(2-methylimidazol-1-yl)phenyl]imidazo[4,5-c]pyridin-7-ol (CID 91363807) is 1-[3-(aminomethyl)phenyl]-6-[2-fluoro-4-(2-methylimidazol-1-yl)phenyl]imidazo[4,5-c]pyridin-7-ol.
What is the SMILES notation for 1-[3-(aminomethyl)phenyl]-6-[2-fluoro-4-(2-methylimidazol-1-yl)phenyl]imidazo[4,5-c]pyridin-7-ol?
The canonical SMILES for 1-[3-(aminomethyl)phenyl]-6-[2-fluoro-4-(2-methylimidazol-1-yl)phenyl]imidazo[4,5-c]pyridin-7-ol is Cc1nccn1-c1ccc(-c2ncc3ncn(-c4cccc(CN)c4)c3c2O)c(F)c1.
What is the InChIKey of 1-[3-(aminomethyl)phenyl]-6-[2-fluoro-4-(2-methylimidazol-1-yl)phenyl]imidazo[4,5-c]pyridin-7-ol?
The InChIKey is CEFNGLKPLPNIJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19FN6O/c1-14-26-7-8-29(14)17-5-6-18(19(24)10-17)21-23(31)22-20(12-27-21)28-13-30(22)16-4-2-3-15(9-16)11-25/h2-10,12-13,31H,11,25H2,1H3.
What are the key properties of 1-[3-(aminomethyl)phenyl]-6-[2-fluoro-4-(2-methylimidazol-1-yl)phenyl]imidazo[4,5-c]pyridin-7-ol?
1-[3-(aminomethyl)phenyl]-6-[2-fluoro-4-(2-methylimidazol-1-yl)phenyl]imidazo[4,5-c]pyridin-7-ol has a molecular weight of 414.44 g/mol, XLogP of 3.89, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(aminomethyl)phenyl]-6-[2-fluoro-4-(2-methylimidazol-1-yl)phenyl]imidazo[4,5-c]pyridin-7-ol is sourced from PubChem (CID 91363807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).