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

C25H23FN6O2 — CID 90849978

IUPAC6-[4-[2-[(dimethylamino)methyl]imidazol-1-yl]-2-fluorophenyl]-1-(4-methoxyphenyl)imidazo[4,5-c]pyridin-7-ol
SMILESCOc1ccc(-n2cnc3cnc(-c4ccc(-n5ccnc5CN(C)C)cc4F)c(O)c32)cc1
InChIInChI=1S/C25H23FN6O2/c1-30(2)14-22-27-10-11-31(22)17-6-9-19(20(26)12-17)23-25(33)24-21(13-28-23)29-15-32(24)16-4-7-18(34-3)8-5-16/h4-13,15,33H,14H2,1-3H3
InChIKeyPGMGSQODMDKEPV-UHFFFAOYSA-N
MW458.50 g/mol
LogP4.19
Rot. Bonds6

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

6-[4-[2-[(dimethylamino)methyl]imidazol-1-yl]-2-fluorophenyl]-1-(4-methoxyphenyl)imidazo[4,5-c]pyridin-7-ol (PubChem CID 90849978) has the molecular formula C25H23FN6O2 and a molecular weight of 458.50 g/mol. Its IUPAC name is 6-[4-[2-[(dimethylamino)methyl]imidazol-1-yl]-2-fluorophenyl]-1-(4-methoxyphenyl)imidazo[4,5-c]pyridin-7-ol.

Molecular Properties

Compound Name6-[4-[2-[(dimethylamino)methyl]imidazol-1-yl]-2-fluorophenyl]-1-(4-methoxyphenyl)imidazo[4,5-c]pyridin-7-ol
PubChem CID90849978
Molecular FormulaC25H23FN6O2
Molecular Weight458.50 g/mol
Exact Mass458.19
IUPAC Name6-[4-[2-[(dimethylamino)methyl]imidazol-1-yl]-2-fluorophenyl]-1-(4-methoxyphenyl)imidazo[4,5-c]pyridin-7-ol
SMILESCOc1ccc(-n2cnc3cnc(-c4ccc(-n5ccnc5CN(C)C)cc4F)c(O)c32)cc1
InChIInChI=1S/C25H23FN6O2/c1-30(2)14-22-27-10-11-31(22)17-6-9-19(20(26)12-17)23-25(33)24-21(13-28-23)29-15-32(24)16-4-7-18(34-3)8-5-16/h4-13,15,33H,14H2,1-3H3
InChIKeyPGMGSQODMDKEPV-UHFFFAOYSA-N
XLogP4.19
TPSA81.23 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500458.50
LogP ≤ 54.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

3-[6-[4-[2-[(dimethylamino)methyl]imidazol-1-yl]phenyl]-7-hydroxyimidazo[4,5-c]pyridin-1-yl]benzamide
CID 91353737
3-[6-[2-fluoro-4-[2-(methylaminomethyl)imidazol-1-yl]phenyl]-7-hydroxyimidazo[4,5-c]pyridin-1-yl]benzamide
CID 91174888
1-[1-(3-fluoro-4-methylphenyl)imidazol-2-yl]-N,N-dimethylmethanamine
CID 21061674
1-(4-methoxyphenyl)-6-[4-[2-(pyrrolidin-1-ylmethyl)phenyl]phenyl]imidazo[4,5-c]pyridin-7-ol
CID 90844831
3-[6-[4-[2-[[ethyl(methyl)amino]methyl]phenyl]-2-fluorophenyl]-7-hydroxyimidazo[4,5-c]pyridin-1-yl]benzamide
CID 91459904
1-[2-fluoro-4-(2-methylimidazol-1-yl)phenyl]-7-(4-methoxyphenyl)purin-6-one
CID 18753811
N-[[1-(4-methoxyphenyl)imidazol-2-yl]methyl]-N-methylthian-4-amine
CID 74239795
(2R)-N-[[1-(4-methoxyphenyl)imidazol-2-yl]methyl]-N-methyl-1-(4-methyl-2-pyridinyl)propan-2-amine
CID 95046645
(3R,4R)-4-fluoro-1-[[1-(4-methoxyphenyl)imidazol-2-yl]methyl]pyrrolidin-3-ol
CID 131948750
[1-(3-methoxyphenyl)imidazol-2-yl]methanol
CID 119091305
CID 172687865
CID 172687865
N-[[1-(4-methoxyphenyl)imidazol-2-yl]methyl]-2-methyl-N-(pyridin-2-ylmethyl)propan-1-amine
CID 46994572

Frequently Asked Questions

What is the IUPAC name of 6-[4-[2-[(dimethylamino)methyl]imidazol-1-yl]-2-fluorophenyl]-1-(4-methoxyphenyl)imidazo[4,5-c]pyridin-7-ol?
The IUPAC name of 6-[4-[2-[(dimethylamino)methyl]imidazol-1-yl]-2-fluorophenyl]-1-(4-methoxyphenyl)imidazo[4,5-c]pyridin-7-ol (CID 90849978) is 6-[4-[2-[(dimethylamino)methyl]imidazol-1-yl]-2-fluorophenyl]-1-(4-methoxyphenyl)imidazo[4,5-c]pyridin-7-ol.
What is the SMILES notation for 6-[4-[2-[(dimethylamino)methyl]imidazol-1-yl]-2-fluorophenyl]-1-(4-methoxyphenyl)imidazo[4,5-c]pyridin-7-ol?
The canonical SMILES for 6-[4-[2-[(dimethylamino)methyl]imidazol-1-yl]-2-fluorophenyl]-1-(4-methoxyphenyl)imidazo[4,5-c]pyridin-7-ol is COc1ccc(-n2cnc3cnc(-c4ccc(-n5ccnc5CN(C)C)cc4F)c(O)c32)cc1.
What is the InChIKey of 6-[4-[2-[(dimethylamino)methyl]imidazol-1-yl]-2-fluorophenyl]-1-(4-methoxyphenyl)imidazo[4,5-c]pyridin-7-ol?
The InChIKey is PGMGSQODMDKEPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23FN6O2/c1-30(2)14-22-27-10-11-31(22)17-6-9-19(20(26)12-17)23-25(33)24-21(13-28-23)29-15-32(24)16-4-7-18(34-3)8-5-16/h4-13,15,33H,14H2,1-3H3.
What are the key properties of 6-[4-[2-[(dimethylamino)methyl]imidazol-1-yl]-2-fluorophenyl]-1-(4-methoxyphenyl)imidazo[4,5-c]pyridin-7-ol?
6-[4-[2-[(dimethylamino)methyl]imidazol-1-yl]-2-fluorophenyl]-1-(4-methoxyphenyl)imidazo[4,5-c]pyridin-7-ol has a molecular weight of 458.50 g/mol, XLogP of 4.19, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-[2-[(dimethylamino)methyl]imidazol-1-yl]-2-fluorophenyl]-1-(4-methoxyphenyl)imidazo[4,5-c]pyridin-7-ol is sourced from PubChem (CID 90849978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).