6-[4-[2-(aminomethyl)phenyl]-2-fluorophenyl]-1-(4-methoxyphenyl)-5,6-dihydro-4H-imidazo[4,5-c]pyridin-7-one

C26H23FN4O2 — CID 18753720

IUPAC6-[4-[2-(aminomethyl)phenyl]-2-fluorophenyl]-1-(4-methoxyphenyl)-5,6-dihydro-4H-imidazo[4,5-c]pyridin-7-one
SMILESCOc1ccc(-n2cnc3c2C(=O)C(c2ccc(-c4ccccc4CN)cc2F)NC3)cc1
InChIInChI=1S/C26H23FN4O2/c1-33-19-9-7-18(8-10-19)31-15-30-23-14-29-24(26(32)25(23)31)21-11-6-16(12-22(21)27)20-5-3-2-4-17(20)13-28/h2-12,15,24,29H,13-14,28H2,1H3
InChIKeyJJOHNADMKSTJSH-UHFFFAOYSA-N
MW442.49 g/mol
LogP4.17
Rot. Bonds5

About 6-[4-[2-(aminomethyl)phenyl]-2-fluorophenyl]-1-(4-methoxyphenyl)-5,6-dihydro-4H-imidazo[4,5-c]pyridin-7-one

6-[4-[2-(aminomethyl)phenyl]-2-fluorophenyl]-1-(4-methoxyphenyl)-5,6-dihydro-4H-imidazo[4,5-c]pyridin-7-one (PubChem CID 18753720) has the molecular formula C26H23FN4O2 and a molecular weight of 442.49 g/mol. Its IUPAC name is 6-[4-[2-(aminomethyl)phenyl]-2-fluorophenyl]-1-(4-methoxyphenyl)-5,6-dihydro-4H-imidazo[4,5-c]pyridin-7-one.

Molecular Properties

Compound Name6-[4-[2-(aminomethyl)phenyl]-2-fluorophenyl]-1-(4-methoxyphenyl)-5,6-dihydro-4H-imidazo[4,5-c]pyridin-7-one
PubChem CID18753720
Molecular FormulaC26H23FN4O2
Molecular Weight442.49 g/mol
Exact Mass442.18
IUPAC Name6-[4-[2-(aminomethyl)phenyl]-2-fluorophenyl]-1-(4-methoxyphenyl)-5,6-dihydro-4H-imidazo[4,5-c]pyridin-7-one
SMILESCOc1ccc(-n2cnc3c2C(=O)C(c2ccc(-c4ccccc4CN)cc2F)NC3)cc1
InChIInChI=1S/C26H23FN4O2/c1-33-19-9-7-18(8-10-19)31-15-30-23-14-29-24(26(32)25(23)31)21-11-6-16(12-22(21)27)20-5-3-2-4-17(20)13-28/h2-12,15,24,29H,13-14,28H2,1H3
InChIKeyJJOHNADMKSTJSH-UHFFFAOYSA-N
XLogP4.17
TPSA82.17 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.49
LogP ≤ 54.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

CID 156906837
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CID 145981077
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CID 162647706
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CID 162663508
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CID 162673379
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CID 164613271
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CID 23658382
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CID 53084126
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CID 162645136
CID 162645136

Frequently Asked Questions

What is the IUPAC name of 6-[4-[2-(aminomethyl)phenyl]-2-fluorophenyl]-1-(4-methoxyphenyl)-5,6-dihydro-4H-imidazo[4,5-c]pyridin-7-one?
The IUPAC name of 6-[4-[2-(aminomethyl)phenyl]-2-fluorophenyl]-1-(4-methoxyphenyl)-5,6-dihydro-4H-imidazo[4,5-c]pyridin-7-one (CID 18753720) is 6-[4-[2-(aminomethyl)phenyl]-2-fluorophenyl]-1-(4-methoxyphenyl)-5,6-dihydro-4H-imidazo[4,5-c]pyridin-7-one.
What is the SMILES notation for 6-[4-[2-(aminomethyl)phenyl]-2-fluorophenyl]-1-(4-methoxyphenyl)-5,6-dihydro-4H-imidazo[4,5-c]pyridin-7-one?
The canonical SMILES for 6-[4-[2-(aminomethyl)phenyl]-2-fluorophenyl]-1-(4-methoxyphenyl)-5,6-dihydro-4H-imidazo[4,5-c]pyridin-7-one is COc1ccc(-n2cnc3c2C(=O)C(c2ccc(-c4ccccc4CN)cc2F)NC3)cc1.
What is the InChIKey of 6-[4-[2-(aminomethyl)phenyl]-2-fluorophenyl]-1-(4-methoxyphenyl)-5,6-dihydro-4H-imidazo[4,5-c]pyridin-7-one?
The InChIKey is JJOHNADMKSTJSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H23FN4O2/c1-33-19-9-7-18(8-10-19)31-15-30-23-14-29-24(26(32)25(23)31)21-11-6-16(12-22(21)27)20-5-3-2-4-17(20)13-28/h2-12,15,24,29H,13-14,28H2,1H3.
What are the key properties of 6-[4-[2-(aminomethyl)phenyl]-2-fluorophenyl]-1-(4-methoxyphenyl)-5,6-dihydro-4H-imidazo[4,5-c]pyridin-7-one?
6-[4-[2-(aminomethyl)phenyl]-2-fluorophenyl]-1-(4-methoxyphenyl)-5,6-dihydro-4H-imidazo[4,5-c]pyridin-7-one has a molecular weight of 442.49 g/mol, XLogP of 4.17, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-[2-(aminomethyl)phenyl]-2-fluorophenyl]-1-(4-methoxyphenyl)-5,6-dihydro-4H-imidazo[4,5-c]pyridin-7-one is sourced from PubChem (CID 18753720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).