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

C30H29FN4O2 — CID 18753768

IUPAC6-[4-[2-[(tert-butylamino)methyl]phenyl]-2-fluorophenyl]-1-(4-methoxyphenyl)-6H-imidazo[4,5-c]pyridin-7-one
SMILESCOc1ccc(-n2cnc3c2C(=O)C(c2ccc(-c4ccccc4CNC(C)(C)C)cc2F)N=C3)cc1
InChIInChI=1S/C30H29FN4O2/c1-30(2,3)34-16-20-7-5-6-8-23(20)19-9-14-24(25(31)15-19)27-29(36)28-26(17-32-27)33-18-35(28)21-10-12-22(37-4)13-11-21/h5-15,17-18,27,34H,16H2,1-4H3
InChIKeyPDUQEFJZAYCZCT-UHFFFAOYSA-N
MW496.59 g/mol
LogP5.93
Rot. Bonds6

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

6-[4-[2-[(tert-butylamino)methyl]phenyl]-2-fluorophenyl]-1-(4-methoxyphenyl)-6H-imidazo[4,5-c]pyridin-7-one (PubChem CID 18753768) has the molecular formula C30H29FN4O2 and a molecular weight of 496.59 g/mol. Its IUPAC name is 6-[4-[2-[(tert-butylamino)methyl]phenyl]-2-fluorophenyl]-1-(4-methoxyphenyl)-6H-imidazo[4,5-c]pyridin-7-one.

Molecular Properties

Compound Name6-[4-[2-[(tert-butylamino)methyl]phenyl]-2-fluorophenyl]-1-(4-methoxyphenyl)-6H-imidazo[4,5-c]pyridin-7-one
PubChem CID18753768
Molecular FormulaC30H29FN4O2
Molecular Weight496.59 g/mol
Exact Mass496.23
IUPAC Name6-[4-[2-[(tert-butylamino)methyl]phenyl]-2-fluorophenyl]-1-(4-methoxyphenyl)-6H-imidazo[4,5-c]pyridin-7-one
SMILESCOc1ccc(-n2cnc3c2C(=O)C(c2ccc(-c4ccccc4CNC(C)(C)C)cc2F)N=C3)cc1
InChIInChI=1S/C30H29FN4O2/c1-30(2,3)34-16-20-7-5-6-8-23(20)19-9-14-24(25(31)15-19)27-29(36)28-26(17-32-27)33-18-35(28)21-10-12-22(37-4)13-11-21/h5-15,17-18,27,34H,16H2,1-4H3
InChIKeyPDUQEFJZAYCZCT-UHFFFAOYSA-N
XLogP5.93
TPSA68.51 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500496.59
LogP ≤ 55.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

CID 156906837
CID 156906837
CID 145981077
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CID 162645774
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CID 162647706
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CID 162663508
CID 162663508
CID 162673379
CID 162673379
CID 164613271
CID 164613271
CID 23658382
CID 23658382
CID 101469253
CID 101469253
CID 162645136
CID 162645136
CID 12318253
CID 12318253
CID 73669586
CID 73669586

Frequently Asked Questions

What is the IUPAC name of 6-[4-[2-[(tert-butylamino)methyl]phenyl]-2-fluorophenyl]-1-(4-methoxyphenyl)-6H-imidazo[4,5-c]pyridin-7-one?
The IUPAC name of 6-[4-[2-[(tert-butylamino)methyl]phenyl]-2-fluorophenyl]-1-(4-methoxyphenyl)-6H-imidazo[4,5-c]pyridin-7-one (CID 18753768) is 6-[4-[2-[(tert-butylamino)methyl]phenyl]-2-fluorophenyl]-1-(4-methoxyphenyl)-6H-imidazo[4,5-c]pyridin-7-one.
What is the SMILES notation for 6-[4-[2-[(tert-butylamino)methyl]phenyl]-2-fluorophenyl]-1-(4-methoxyphenyl)-6H-imidazo[4,5-c]pyridin-7-one?
The canonical SMILES for 6-[4-[2-[(tert-butylamino)methyl]phenyl]-2-fluorophenyl]-1-(4-methoxyphenyl)-6H-imidazo[4,5-c]pyridin-7-one is COc1ccc(-n2cnc3c2C(=O)C(c2ccc(-c4ccccc4CNC(C)(C)C)cc2F)N=C3)cc1.
What is the InChIKey of 6-[4-[2-[(tert-butylamino)methyl]phenyl]-2-fluorophenyl]-1-(4-methoxyphenyl)-6H-imidazo[4,5-c]pyridin-7-one?
The InChIKey is PDUQEFJZAYCZCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H29FN4O2/c1-30(2,3)34-16-20-7-5-6-8-23(20)19-9-14-24(25(31)15-19)27-29(36)28-26(17-32-27)33-18-35(28)21-10-12-22(37-4)13-11-21/h5-15,17-18,27,34H,16H2,1-4H3.
What are the key properties of 6-[4-[2-[(tert-butylamino)methyl]phenyl]-2-fluorophenyl]-1-(4-methoxyphenyl)-6H-imidazo[4,5-c]pyridin-7-one?
6-[4-[2-[(tert-butylamino)methyl]phenyl]-2-fluorophenyl]-1-(4-methoxyphenyl)-6H-imidazo[4,5-c]pyridin-7-one has a molecular weight of 496.59 g/mol, XLogP of 5.93, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-[2-[(tert-butylamino)methyl]phenyl]-2-fluorophenyl]-1-(4-methoxyphenyl)-6H-imidazo[4,5-c]pyridin-7-one is sourced from PubChem (CID 18753768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).