1-[3-(aminomethyl)phenyl]-6-[4-[2-[(dimethylamino)methyl]imidazol-1-yl]-2-fluorophenyl]imidazo[4,5-c]pyridin-7-ol

C25H24FN7O — CID 91502886

IUPAC1-[3-(aminomethyl)phenyl]-6-[4-[2-[(dimethylamino)methyl]imidazol-1-yl]-2-fluorophenyl]imidazo[4,5-c]pyridin-7-ol
SMILESCN(C)Cc1nccn1-c1ccc(-c2ncc3ncn(-c4cccc(CN)c4)c3c2O)c(F)c1
InChIInChI=1S/C25H24FN7O/c1-31(2)14-22-28-8-9-32(22)18-6-7-19(20(26)11-18)23-25(34)24-21(13-29-23)30-15-33(24)17-5-3-4-16(10-17)12-27/h3-11,13,15,34H,12,14,27H2,1-2H3
InChIKeyGTLMKGNKHLZIHQ-UHFFFAOYSA-N
MW457.51 g/mol
LogP3.64
Rot. Bonds6

About 1-[3-(aminomethyl)phenyl]-6-[4-[2-[(dimethylamino)methyl]imidazol-1-yl]-2-fluorophenyl]imidazo[4,5-c]pyridin-7-ol

1-[3-(aminomethyl)phenyl]-6-[4-[2-[(dimethylamino)methyl]imidazol-1-yl]-2-fluorophenyl]imidazo[4,5-c]pyridin-7-ol (PubChem CID 91502886) has the molecular formula C25H24FN7O and a molecular weight of 457.51 g/mol. Its IUPAC name is 1-[3-(aminomethyl)phenyl]-6-[4-[2-[(dimethylamino)methyl]imidazol-1-yl]-2-fluorophenyl]imidazo[4,5-c]pyridin-7-ol.

Molecular Properties

Compound Name1-[3-(aminomethyl)phenyl]-6-[4-[2-[(dimethylamino)methyl]imidazol-1-yl]-2-fluorophenyl]imidazo[4,5-c]pyridin-7-ol
PubChem CID91502886
Molecular FormulaC25H24FN7O
Molecular Weight457.51 g/mol
Exact Mass457.20
IUPAC Name1-[3-(aminomethyl)phenyl]-6-[4-[2-[(dimethylamino)methyl]imidazol-1-yl]-2-fluorophenyl]imidazo[4,5-c]pyridin-7-ol
SMILESCN(C)Cc1nccn1-c1ccc(-c2ncc3ncn(-c4cccc(CN)c4)c3c2O)c(F)c1
InChIInChI=1S/C25H24FN7O/c1-31(2)14-22-28-8-9-32(22)18-6-7-19(20(26)11-18)23-25(34)24-21(13-29-23)30-15-33(24)17-5-3-4-16(10-17)12-27/h3-11,13,15,34H,12,14,27H2,1-2H3
InChIKeyGTLMKGNKHLZIHQ-UHFFFAOYSA-N
XLogP3.64
TPSA98.02 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500457.51
LogP ≤ 53.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 1-[3-(aminomethyl)phenyl]-6-[4-[2-[(dimethylamino)methyl]imidazol-1-yl]-2-fluorophenyl]imidazo[4,5-c]pyridin-7-ol?
The IUPAC name of 1-[3-(aminomethyl)phenyl]-6-[4-[2-[(dimethylamino)methyl]imidazol-1-yl]-2-fluorophenyl]imidazo[4,5-c]pyridin-7-ol (CID 91502886) is 1-[3-(aminomethyl)phenyl]-6-[4-[2-[(dimethylamino)methyl]imidazol-1-yl]-2-fluorophenyl]imidazo[4,5-c]pyridin-7-ol.
What is the SMILES notation for 1-[3-(aminomethyl)phenyl]-6-[4-[2-[(dimethylamino)methyl]imidazol-1-yl]-2-fluorophenyl]imidazo[4,5-c]pyridin-7-ol?
The canonical SMILES for 1-[3-(aminomethyl)phenyl]-6-[4-[2-[(dimethylamino)methyl]imidazol-1-yl]-2-fluorophenyl]imidazo[4,5-c]pyridin-7-ol is CN(C)Cc1nccn1-c1ccc(-c2ncc3ncn(-c4cccc(CN)c4)c3c2O)c(F)c1.
What is the InChIKey of 1-[3-(aminomethyl)phenyl]-6-[4-[2-[(dimethylamino)methyl]imidazol-1-yl]-2-fluorophenyl]imidazo[4,5-c]pyridin-7-ol?
The InChIKey is GTLMKGNKHLZIHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24FN7O/c1-31(2)14-22-28-8-9-32(22)18-6-7-19(20(26)11-18)23-25(34)24-21(13-29-23)30-15-33(24)17-5-3-4-16(10-17)12-27/h3-11,13,15,34H,12,14,27H2,1-2H3.
What are the key properties of 1-[3-(aminomethyl)phenyl]-6-[4-[2-[(dimethylamino)methyl]imidazol-1-yl]-2-fluorophenyl]imidazo[4,5-c]pyridin-7-ol?
1-[3-(aminomethyl)phenyl]-6-[4-[2-[(dimethylamino)methyl]imidazol-1-yl]-2-fluorophenyl]imidazo[4,5-c]pyridin-7-ol has a molecular weight of 457.51 g/mol, XLogP of 3.64, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(aminomethyl)phenyl]-6-[4-[2-[(dimethylamino)methyl]imidazol-1-yl]-2-fluorophenyl]imidazo[4,5-c]pyridin-7-ol is sourced from PubChem (CID 91502886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).