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

C28H25FN4O2 — CID 18753883

IUPAC6-[4-[2-[(dimethylamino)methyl]phenyl]-2-fluorophenyl]-1-(4-methoxyphenyl)-6H-imidazo[4,5-c]pyridin-7-one
SMILESCOc1ccc(-n2cnc3c2C(=O)C(c2ccc(-c4ccccc4CN(C)C)cc2F)N=C3)cc1
InChIInChI=1S/C28H25FN4O2/c1-32(2)16-19-6-4-5-7-22(19)18-8-13-23(24(29)14-18)26-28(34)27-25(15-30-26)31-17-33(27)20-9-11-21(35-3)12-10-20/h4-15,17,26H,16H2,1-3H3
InChIKeyOKNSLTUNWHLKCJ-UHFFFAOYSA-N
MW468.53 g/mol
LogP5.11
Rot. Bonds6

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

6-[4-[2-[(dimethylamino)methyl]phenyl]-2-fluorophenyl]-1-(4-methoxyphenyl)-6H-imidazo[4,5-c]pyridin-7-one (PubChem CID 18753883) has the molecular formula C28H25FN4O2 and a molecular weight of 468.53 g/mol. Its IUPAC name is 6-[4-[2-[(dimethylamino)methyl]phenyl]-2-fluorophenyl]-1-(4-methoxyphenyl)-6H-imidazo[4,5-c]pyridin-7-one.

Molecular Properties

Compound Name6-[4-[2-[(dimethylamino)methyl]phenyl]-2-fluorophenyl]-1-(4-methoxyphenyl)-6H-imidazo[4,5-c]pyridin-7-one
PubChem CID18753883
Molecular FormulaC28H25FN4O2
Molecular Weight468.53 g/mol
Exact Mass468.20
IUPAC Name6-[4-[2-[(dimethylamino)methyl]phenyl]-2-fluorophenyl]-1-(4-methoxyphenyl)-6H-imidazo[4,5-c]pyridin-7-one
SMILESCOc1ccc(-n2cnc3c2C(=O)C(c2ccc(-c4ccccc4CN(C)C)cc2F)N=C3)cc1
InChIInChI=1S/C28H25FN4O2/c1-32(2)16-19-6-4-5-7-22(19)18-8-13-23(24(29)14-18)26-28(34)27-25(15-30-26)31-17-33(27)20-9-11-21(35-3)12-10-20/h4-15,17,26H,16H2,1-3H3
InChIKeyOKNSLTUNWHLKCJ-UHFFFAOYSA-N
XLogP5.11
TPSA59.72 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500468.53
LogP ≤ 55.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-[4-[2-[(dimethylamino)methyl]phenyl]-2-fluorophenyl]-1-(4-methoxyphenyl)-6H-imidazo[4,5-c]pyridin-7-one?
The IUPAC name of 6-[4-[2-[(dimethylamino)methyl]phenyl]-2-fluorophenyl]-1-(4-methoxyphenyl)-6H-imidazo[4,5-c]pyridin-7-one (CID 18753883) is 6-[4-[2-[(dimethylamino)methyl]phenyl]-2-fluorophenyl]-1-(4-methoxyphenyl)-6H-imidazo[4,5-c]pyridin-7-one.
What is the SMILES notation for 6-[4-[2-[(dimethylamino)methyl]phenyl]-2-fluorophenyl]-1-(4-methoxyphenyl)-6H-imidazo[4,5-c]pyridin-7-one?
The canonical SMILES for 6-[4-[2-[(dimethylamino)methyl]phenyl]-2-fluorophenyl]-1-(4-methoxyphenyl)-6H-imidazo[4,5-c]pyridin-7-one is COc1ccc(-n2cnc3c2C(=O)C(c2ccc(-c4ccccc4CN(C)C)cc2F)N=C3)cc1.
What is the InChIKey of 6-[4-[2-[(dimethylamino)methyl]phenyl]-2-fluorophenyl]-1-(4-methoxyphenyl)-6H-imidazo[4,5-c]pyridin-7-one?
The InChIKey is OKNSLTUNWHLKCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H25FN4O2/c1-32(2)16-19-6-4-5-7-22(19)18-8-13-23(24(29)14-18)26-28(34)27-25(15-30-26)31-17-33(27)20-9-11-21(35-3)12-10-20/h4-15,17,26H,16H2,1-3H3.
What are the key properties of 6-[4-[2-[(dimethylamino)methyl]phenyl]-2-fluorophenyl]-1-(4-methoxyphenyl)-6H-imidazo[4,5-c]pyridin-7-one?
6-[4-[2-[(dimethylamino)methyl]phenyl]-2-fluorophenyl]-1-(4-methoxyphenyl)-6H-imidazo[4,5-c]pyridin-7-one has a molecular weight of 468.53 g/mol, XLogP of 5.11, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-[2-[(dimethylamino)methyl]phenyl]-2-fluorophenyl]-1-(4-methoxyphenyl)-6H-imidazo[4,5-c]pyridin-7-one is sourced from PubChem (CID 18753883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).