3-(1H-indol-3-yl)-1-(2,2,2-trifluoroethyl)pyrazolo[4,3-c]pyridine-6-carbaldehyde

C17H11F3N4O — CID 156901809

IUPAC3-(1H-indol-3-yl)-1-(2,2,2-trifluoroethyl)pyrazolo[4,3-c]pyridine-6-carbaldehyde
SMILESO=Cc1cc2c(cn1)c(-c1c[nH]c3ccccc13)nn2CC(F)(F)F
InChIInChI=1S/C17H11F3N4O/c18-17(19,20)9-24-15-5-10(8-25)21-7-13(15)16(23-24)12-6-22-14-4-2-1-3-11(12)14/h1-8,22H,9H2
InChIKeyRBGXHDQEIOHQIQ-UHFFFAOYSA-N
MW344.30 g/mol
LogP3.95
Rot. Bonds3

About 3-(1H-indol-3-yl)-1-(2,2,2-trifluoroethyl)pyrazolo[4,3-c]pyridine-6-carbaldehyde

3-(1H-indol-3-yl)-1-(2,2,2-trifluoroethyl)pyrazolo[4,3-c]pyridine-6-carbaldehyde (PubChem CID 156901809) has the molecular formula C17H11F3N4O and a molecular weight of 344.30 g/mol. Its IUPAC name is 3-(1H-indol-3-yl)-1-(2,2,2-trifluoroethyl)pyrazolo[4,3-c]pyridine-6-carbaldehyde.

Molecular Properties

Compound Name3-(1H-indol-3-yl)-1-(2,2,2-trifluoroethyl)pyrazolo[4,3-c]pyridine-6-carbaldehyde
PubChem CID156901809
Molecular FormulaC17H11F3N4O
Molecular Weight344.30 g/mol
Exact Mass344.09
IUPAC Name3-(1H-indol-3-yl)-1-(2,2,2-trifluoroethyl)pyrazolo[4,3-c]pyridine-6-carbaldehyde
SMILESO=Cc1cc2c(cn1)c(-c1c[nH]c3ccccc13)nn2CC(F)(F)F
InChIInChI=1S/C17H11F3N4O/c18-17(19,20)9-24-15-5-10(8-25)21-7-13(15)16(23-24)12-6-22-14-4-2-1-3-11(12)14/h1-8,22H,9H2
InChIKeyRBGXHDQEIOHQIQ-UHFFFAOYSA-N
XLogP3.95
TPSA63.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.30
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

N-[2-Fluoro-5-[[3-[(1E)-2-(2-pyridinyl)ethenyl]-1H-indazol-6-yl]amino]phenyl]-1,3-dimethyl-1H-pyrazole-5-carboxamide
CID 9934283
2-((1H-indol-3-yl)methyl)-1H-indole-3-carbaldehyde
CID 10265357
2-(1H-indol-3-yl)-2-oxo-N-(4-pyrazol-1-ylphenyl)acetamide
CID 44596891
1-(4-fluoro-1H-indol-3-yl)-2-[4-(1H-pyrazole-3-carbonyl)piperazin-1-yl]ethane-1,2-dione
CID 506360
N'-[(E)-1H-indol-3-ylmethylidene]-1H-pyrazole-3-carbohydrazide
CID 135510250
(E)-N'-((1H-indol-3-yl)methylene)-3-isopropyl-1H-pyrazole-5-carbohydrazide
CID 135642422
N'-[(1-ethyl-3,5-dimethyl-1H-pyrazol-4-yl)methylene]-1H-indole-3-carbohydrazide
CID 6875058
N-(pyridin-2-ylmethyl)-1H-indazole-3-carboxamide
CID 2999812
(2-((1H-indazol-6-yl)methylamino)phenyl)(6-methyl-1H-indol-3-yl)methanone
CID 11257497
N-[6-(1H-Indol-4-yl)-1H-indazol-4-yl]-2-pyridinecarboxamide
CID 44540407
(1H-Indazol-3-yl)(2-{[(pyridin-4-yl)methyl]amino}phenyl)methanone
CID 44577698
(2-{[(1H-Indazol-6-yl)methyl]amino}phenyl)(1H-indol-3-yl)methanone
CID 44577796

Frequently Asked Questions

What is the IUPAC name of 3-(1H-indol-3-yl)-1-(2,2,2-trifluoroethyl)pyrazolo[4,3-c]pyridine-6-carbaldehyde?
The IUPAC name of 3-(1H-indol-3-yl)-1-(2,2,2-trifluoroethyl)pyrazolo[4,3-c]pyridine-6-carbaldehyde (CID 156901809) is 3-(1H-indol-3-yl)-1-(2,2,2-trifluoroethyl)pyrazolo[4,3-c]pyridine-6-carbaldehyde.
What is the SMILES notation for 3-(1H-indol-3-yl)-1-(2,2,2-trifluoroethyl)pyrazolo[4,3-c]pyridine-6-carbaldehyde?
The canonical SMILES for 3-(1H-indol-3-yl)-1-(2,2,2-trifluoroethyl)pyrazolo[4,3-c]pyridine-6-carbaldehyde is O=Cc1cc2c(cn1)c(-c1c[nH]c3ccccc13)nn2CC(F)(F)F.
What is the InChIKey of 3-(1H-indol-3-yl)-1-(2,2,2-trifluoroethyl)pyrazolo[4,3-c]pyridine-6-carbaldehyde?
The InChIKey is RBGXHDQEIOHQIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11F3N4O/c18-17(19,20)9-24-15-5-10(8-25)21-7-13(15)16(23-24)12-6-22-14-4-2-1-3-11(12)14/h1-8,22H,9H2.
What are the key properties of 3-(1H-indol-3-yl)-1-(2,2,2-trifluoroethyl)pyrazolo[4,3-c]pyridine-6-carbaldehyde?
3-(1H-indol-3-yl)-1-(2,2,2-trifluoroethyl)pyrazolo[4,3-c]pyridine-6-carbaldehyde has a molecular weight of 344.30 g/mol, XLogP of 3.95, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1H-indol-3-yl)-1-(2,2,2-trifluoroethyl)pyrazolo[4,3-c]pyridine-6-carbaldehyde is sourced from PubChem (CID 156901809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).