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

C24H22FN7O — CID 91311534

IUPAC1-[3-(aminomethyl)phenyl]-6-[2-fluoro-4-[2-(methylaminomethyl)imidazol-1-yl]phenyl]imidazo[4,5-c]pyridin-7-ol
SMILESCNCc1nccn1-c1ccc(-c2ncc3ncn(-c4cccc(CN)c4)c3c2O)c(F)c1
InChIInChI=1S/C24H22FN7O/c1-27-13-21-28-7-8-31(21)17-5-6-18(19(25)10-17)22-24(33)23-20(12-29-22)30-14-32(23)16-4-2-3-15(9-16)11-26/h2-10,12,14,27,33H,11,13,26H2,1H3
InChIKeySJFBNGXFTBQXRT-UHFFFAOYSA-N
MW443.49 g/mol
LogP3.30
Rot. Bonds6

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

1-[3-(aminomethyl)phenyl]-6-[2-fluoro-4-[2-(methylaminomethyl)imidazol-1-yl]phenyl]imidazo[4,5-c]pyridin-7-ol (PubChem CID 91311534) has the molecular formula C24H22FN7O and a molecular weight of 443.49 g/mol. Its IUPAC name is 1-[3-(aminomethyl)phenyl]-6-[2-fluoro-4-[2-(methylaminomethyl)imidazol-1-yl]phenyl]imidazo[4,5-c]pyridin-7-ol.

Molecular Properties

Compound Name1-[3-(aminomethyl)phenyl]-6-[2-fluoro-4-[2-(methylaminomethyl)imidazol-1-yl]phenyl]imidazo[4,5-c]pyridin-7-ol
PubChem CID91311534
Molecular FormulaC24H22FN7O
Molecular Weight443.49 g/mol
Exact Mass443.19
IUPAC Name1-[3-(aminomethyl)phenyl]-6-[2-fluoro-4-[2-(methylaminomethyl)imidazol-1-yl]phenyl]imidazo[4,5-c]pyridin-7-ol
SMILESCNCc1nccn1-c1ccc(-c2ncc3ncn(-c4cccc(CN)c4)c3c2O)c(F)c1
InChIInChI=1S/C24H22FN7O/c1-27-13-21-28-7-8-31(21)17-5-6-18(19(25)10-17)22-24(33)23-20(12-29-22)30-14-32(23)16-4-2-3-15(9-16)11-26/h2-10,12,14,27,33H,11,13,26H2,1H3
InChIKeySJFBNGXFTBQXRT-UHFFFAOYSA-N
XLogP3.30
TPSA106.81 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.49
LogP ≤ 53.30
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 1-[3-(aminomethyl)phenyl]-6-[2-fluoro-4-[2-(methylaminomethyl)imidazol-1-yl]phenyl]imidazo[4,5-c]pyridin-7-ol?
The IUPAC name of 1-[3-(aminomethyl)phenyl]-6-[2-fluoro-4-[2-(methylaminomethyl)imidazol-1-yl]phenyl]imidazo[4,5-c]pyridin-7-ol (CID 91311534) is 1-[3-(aminomethyl)phenyl]-6-[2-fluoro-4-[2-(methylaminomethyl)imidazol-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-(methylaminomethyl)imidazol-1-yl]phenyl]imidazo[4,5-c]pyridin-7-ol?
The canonical SMILES for 1-[3-(aminomethyl)phenyl]-6-[2-fluoro-4-[2-(methylaminomethyl)imidazol-1-yl]phenyl]imidazo[4,5-c]pyridin-7-ol is CNCc1nccn1-c1ccc(-c2ncc3ncn(-c4cccc(CN)c4)c3c2O)c(F)c1.
What is the InChIKey of 1-[3-(aminomethyl)phenyl]-6-[2-fluoro-4-[2-(methylaminomethyl)imidazol-1-yl]phenyl]imidazo[4,5-c]pyridin-7-ol?
The InChIKey is SJFBNGXFTBQXRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22FN7O/c1-27-13-21-28-7-8-31(21)17-5-6-18(19(25)10-17)22-24(33)23-20(12-29-22)30-14-32(23)16-4-2-3-15(9-16)11-26/h2-10,12,14,27,33H,11,13,26H2,1H3.
What are the key properties of 1-[3-(aminomethyl)phenyl]-6-[2-fluoro-4-[2-(methylaminomethyl)imidazol-1-yl]phenyl]imidazo[4,5-c]pyridin-7-ol?
1-[3-(aminomethyl)phenyl]-6-[2-fluoro-4-[2-(methylaminomethyl)imidazol-1-yl]phenyl]imidazo[4,5-c]pyridin-7-ol has a molecular weight of 443.49 g/mol, XLogP of 3.30, 6 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(aminomethyl)phenyl]-6-[2-fluoro-4-[2-(methylaminomethyl)imidazol-1-yl]phenyl]imidazo[4,5-c]pyridin-7-ol is sourced from PubChem (CID 91311534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).