[6-(4-fluorophenyl)-1H-indol-3-yl]-[4-[(2-methylimidazo[4,5-c]pyridin-1-yl)methyl]phenyl]methanone

C29H21FN4O — CID 10623837

IUPAC[6-(4-fluorophenyl)-1H-indol-3-yl]-[4-[(2-methylimidazo[4,5-c]pyridin-1-yl)methyl]phenyl]methanone
SMILESCc1nc2cnccc2n1Cc1ccc(C(=O)c2c[nH]c3cc(-c4ccc(F)cc4)ccc23)cc1
InChIInChI=1S/C29H21FN4O/c1-18-33-27-16-31-13-12-28(27)34(18)17-19-2-4-21(5-3-19)29(35)25-15-32-26-14-22(8-11-24(25)26)20-6-9-23(30)10-7-20/h2-16,32H,17H2,1H3
InChIKeyLIKKCTPAIGYZTR-UHFFFAOYSA-N
MW460.51 g/mol
LogP6.31
Rot. Bonds5

About [6-(4-fluorophenyl)-1H-indol-3-yl]-[4-[(2-methylimidazo[4,5-c]pyridin-1-yl)methyl]phenyl]methanone

[6-(4-fluorophenyl)-1H-indol-3-yl]-[4-[(2-methylimidazo[4,5-c]pyridin-1-yl)methyl]phenyl]methanone (PubChem CID 10623837) has the molecular formula C29H21FN4O and a molecular weight of 460.51 g/mol. Its IUPAC name is [6-(4-fluorophenyl)-1H-indol-3-yl]-[4-[(2-methylimidazo[4,5-c]pyridin-1-yl)methyl]phenyl]methanone.

Molecular Properties

Compound Name[6-(4-fluorophenyl)-1H-indol-3-yl]-[4-[(2-methylimidazo[4,5-c]pyridin-1-yl)methyl]phenyl]methanone
PubChem CID10623837
Molecular FormulaC29H21FN4O
Molecular Weight460.51 g/mol
Exact Mass460.17
IUPAC Name[6-(4-fluorophenyl)-1H-indol-3-yl]-[4-[(2-methylimidazo[4,5-c]pyridin-1-yl)methyl]phenyl]methanone
SMILESCc1nc2cnccc2n1Cc1ccc(C(=O)c2c[nH]c3cc(-c4ccc(F)cc4)ccc23)cc1
InChIInChI=1S/C29H21FN4O/c1-18-33-27-16-31-13-12-28(27)34(18)17-19-2-4-21(5-3-19)29(35)25-15-32-26-14-22(8-11-24(25)26)20-6-9-23(30)10-7-20/h2-16,32H,17H2,1H3
InChIKeyLIKKCTPAIGYZTR-UHFFFAOYSA-N
XLogP6.31
TPSA63.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500460.51
LogP ≤ 56.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [6-(4-fluorophenyl)-1H-indol-3-yl]-[4-[(2-methylimidazo[4,5-c]pyridin-1-yl)methyl]phenyl]methanone?
The IUPAC name of [6-(4-fluorophenyl)-1H-indol-3-yl]-[4-[(2-methylimidazo[4,5-c]pyridin-1-yl)methyl]phenyl]methanone (CID 10623837) is [6-(4-fluorophenyl)-1H-indol-3-yl]-[4-[(2-methylimidazo[4,5-c]pyridin-1-yl)methyl]phenyl]methanone.
What is the SMILES notation for [6-(4-fluorophenyl)-1H-indol-3-yl]-[4-[(2-methylimidazo[4,5-c]pyridin-1-yl)methyl]phenyl]methanone?
The canonical SMILES for [6-(4-fluorophenyl)-1H-indol-3-yl]-[4-[(2-methylimidazo[4,5-c]pyridin-1-yl)methyl]phenyl]methanone is Cc1nc2cnccc2n1Cc1ccc(C(=O)c2c[nH]c3cc(-c4ccc(F)cc4)ccc23)cc1.
What is the InChIKey of [6-(4-fluorophenyl)-1H-indol-3-yl]-[4-[(2-methylimidazo[4,5-c]pyridin-1-yl)methyl]phenyl]methanone?
The InChIKey is LIKKCTPAIGYZTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H21FN4O/c1-18-33-27-16-31-13-12-28(27)34(18)17-19-2-4-21(5-3-19)29(35)25-15-32-26-14-22(8-11-24(25)26)20-6-9-23(30)10-7-20/h2-16,32H,17H2,1H3.
What are the key properties of [6-(4-fluorophenyl)-1H-indol-3-yl]-[4-[(2-methylimidazo[4,5-c]pyridin-1-yl)methyl]phenyl]methanone?
[6-(4-fluorophenyl)-1H-indol-3-yl]-[4-[(2-methylimidazo[4,5-c]pyridin-1-yl)methyl]phenyl]methanone has a molecular weight of 460.51 g/mol, XLogP of 6.31, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [6-(4-fluorophenyl)-1H-indol-3-yl]-[4-[(2-methylimidazo[4,5-c]pyridin-1-yl)methyl]phenyl]methanone is sourced from PubChem (CID 10623837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).