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

C24H17F3N4O — CID 20730319

IUPAC(1-methylimidazo[4,5-c]pyridin-2-yl)-[1-[[4-(trifluoromethyl)phenyl]methyl]indol-3-yl]methanone
SMILESCn1c(C(=O)c2cn(Cc3ccc(C(F)(F)F)cc3)c3ccccc23)nc2cnccc21
InChIInChI=1S/C24H17F3N4O/c1-30-21-10-11-28-12-19(21)29-23(30)22(32)18-14-31(20-5-3-2-4-17(18)20)13-15-6-8-16(9-7-15)24(25,26)27/h2-12,14H,13H2,1H3
InChIKeyWITWTYHDPLGYSJ-UHFFFAOYSA-N
MW434.42 g/mol
LogP5.22
Rot. Bonds4

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

(1-methylimidazo[4,5-c]pyridin-2-yl)-[1-[[4-(trifluoromethyl)phenyl]methyl]indol-3-yl]methanone (PubChem CID 20730319) has the molecular formula C24H17F3N4O and a molecular weight of 434.42 g/mol. Its IUPAC name is (1-methylimidazo[4,5-c]pyridin-2-yl)-[1-[[4-(trifluoromethyl)phenyl]methyl]indol-3-yl]methanone.

Molecular Properties

Compound Name(1-methylimidazo[4,5-c]pyridin-2-yl)-[1-[[4-(trifluoromethyl)phenyl]methyl]indol-3-yl]methanone
PubChem CID20730319
Molecular FormulaC24H17F3N4O
Molecular Weight434.42 g/mol
Exact Mass434.14
IUPAC Name(1-methylimidazo[4,5-c]pyridin-2-yl)-[1-[[4-(trifluoromethyl)phenyl]methyl]indol-3-yl]methanone
SMILESCn1c(C(=O)c2cn(Cc3ccc(C(F)(F)F)cc3)c3ccccc23)nc2cnccc21
InChIInChI=1S/C24H17F3N4O/c1-30-21-10-11-28-12-19(21)29-23(30)22(32)18-14-31(20-5-3-2-4-17(18)20)13-15-6-8-16(9-7-15)24(25,26)27/h2-12,14H,13H2,1H3
InChIKeyWITWTYHDPLGYSJ-UHFFFAOYSA-N
XLogP5.22
TPSA52.71 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500434.42
LogP ≤ 55.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

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CID 4595
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CID 56834890
ABT-491 free base
CID 154087
(R)-Ondansetron
CID 667538
Ondansetron, (3S)-
CID 698135
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CID 507883
1-(4-benzoylpiperazin-1-yl)-2-[4-fluoro-7-(1H-imidazol-5-yl)-1H-indol-3-yl]ethane-1,2-dione
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Deoxytopsentin
CID 183527

Frequently Asked Questions

What is the IUPAC name of (1-methylimidazo[4,5-c]pyridin-2-yl)-[1-[[4-(trifluoromethyl)phenyl]methyl]indol-3-yl]methanone?
The IUPAC name of (1-methylimidazo[4,5-c]pyridin-2-yl)-[1-[[4-(trifluoromethyl)phenyl]methyl]indol-3-yl]methanone (CID 20730319) is (1-methylimidazo[4,5-c]pyridin-2-yl)-[1-[[4-(trifluoromethyl)phenyl]methyl]indol-3-yl]methanone.
What is the SMILES notation for (1-methylimidazo[4,5-c]pyridin-2-yl)-[1-[[4-(trifluoromethyl)phenyl]methyl]indol-3-yl]methanone?
The canonical SMILES for (1-methylimidazo[4,5-c]pyridin-2-yl)-[1-[[4-(trifluoromethyl)phenyl]methyl]indol-3-yl]methanone is Cn1c(C(=O)c2cn(Cc3ccc(C(F)(F)F)cc3)c3ccccc23)nc2cnccc21.
What is the InChIKey of (1-methylimidazo[4,5-c]pyridin-2-yl)-[1-[[4-(trifluoromethyl)phenyl]methyl]indol-3-yl]methanone?
The InChIKey is WITWTYHDPLGYSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H17F3N4O/c1-30-21-10-11-28-12-19(21)29-23(30)22(32)18-14-31(20-5-3-2-4-17(18)20)13-15-6-8-16(9-7-15)24(25,26)27/h2-12,14H,13H2,1H3.
What are the key properties of (1-methylimidazo[4,5-c]pyridin-2-yl)-[1-[[4-(trifluoromethyl)phenyl]methyl]indol-3-yl]methanone?
(1-methylimidazo[4,5-c]pyridin-2-yl)-[1-[[4-(trifluoromethyl)phenyl]methyl]indol-3-yl]methanone has a molecular weight of 434.42 g/mol, XLogP of 5.22, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1-methylimidazo[4,5-c]pyridin-2-yl)-[1-[[4-(trifluoromethyl)phenyl]methyl]indol-3-yl]methanone is sourced from PubChem (CID 20730319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).