2-methoxy-5-[[2-[2-(3,3,3-trifluoropropyl)pyrazol-3-yl]-3-pyridinyl]methoxy]pyridine-4-carbaldehyde

C19H17F3N4O3 — CID 85473372

IUPAC2-methoxy-5-[[2-[2-(3,3,3-trifluoropropyl)pyrazol-3-yl]-3-pyridinyl]methoxy]pyridine-4-carbaldehyde
SMILESCOc1cc(C=O)c(OCc2cccnc2-c2ccnn2CCC(F)(F)F)cn1
InChIInChI=1S/C19H17F3N4O3/c1-28-17-9-14(11-27)16(10-24-17)29-12-13-3-2-6-23-18(13)15-4-7-25-26(15)8-5-19(20,21)22/h2-4,6-7,9-11H,5,8,12H2,1H3
InChIKeyYXQOVIPZAIRFIL-UHFFFAOYSA-N
MW406.36 g/mol
LogP3.69
Rot. Bonds8

About 2-methoxy-5-[[2-[2-(3,3,3-trifluoropropyl)pyrazol-3-yl]-3-pyridinyl]methoxy]pyridine-4-carbaldehyde

2-methoxy-5-[[2-[2-(3,3,3-trifluoropropyl)pyrazol-3-yl]-3-pyridinyl]methoxy]pyridine-4-carbaldehyde (PubChem CID 85473372) has the molecular formula C19H17F3N4O3 and a molecular weight of 406.36 g/mol. Its IUPAC name is 2-methoxy-5-[[2-[2-(3,3,3-trifluoropropyl)pyrazol-3-yl]-3-pyridinyl]methoxy]pyridine-4-carbaldehyde.

Molecular Properties

Compound Name2-methoxy-5-[[2-[2-(3,3,3-trifluoropropyl)pyrazol-3-yl]-3-pyridinyl]methoxy]pyridine-4-carbaldehyde
PubChem CID85473372
Molecular FormulaC19H17F3N4O3
Molecular Weight406.36 g/mol
Exact Mass406.13
IUPAC Name2-methoxy-5-[[2-[2-(3,3,3-trifluoropropyl)pyrazol-3-yl]-3-pyridinyl]methoxy]pyridine-4-carbaldehyde
SMILESCOc1cc(C=O)c(OCc2cccnc2-c2ccnn2CCC(F)(F)F)cn1
InChIInChI=1S/C19H17F3N4O3/c1-28-17-9-14(11-27)16(10-24-17)29-12-13-3-2-6-23-18(13)15-4-7-25-26(15)8-5-19(20,21)22/h2-4,6-7,9-11H,5,8,12H2,1H3
InChIKeyYXQOVIPZAIRFIL-UHFFFAOYSA-N
XLogP3.69
TPSA79.13 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.36
LogP ≤ 53.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

4-(4-Fluorophenyl)-5-[(1-methylpyrazol-3-yl)methoxy]pyridine-2-carboxamide
CID 122539788
5-((2-(1-isopropyl-1H-pyrazol-5-yl)pyridin-3-yl)methoxy)-2-methoxyisonicotinaldehyde
CID 85472986
6-(1-Methylpyrazol-4-yl)-3-[1-[2-[4-(trifluoromethoxy)phenyl]acetyl]piperidin-4-yl]oxypyridine-2-carboxamide
CID 145964002
4-(4-fluorophenyl)-5-((1-methyl-1H-pyrazol-4-yl)methoxy)picolinamide
CID 122539778
2-methoxy-5-[[2-(1H-pyrazol-5-yl)-3-pyridinyl]methoxy]pyridine-4-carbaldehyde
CID 71621761
2-Fluoro-6-[[2-(2-propan-2-ylpyrazol-3-yl)-3-pyridinyl]methoxy]benzaldehyde
CID 71621777
2-Methoxy-5-[(1-methylindazol-4-yl)methoxy]pyridine-4-carbaldehyde
CID 71621900
5-[[2-(1,4-Dimethylpyrazol-5-yl)-3-pyridinyl]methoxy]-2-methoxypyridine-4-carbaldehyde
CID 71622314
2-(2-Methoxyethoxy)-5-[[2-(2-propan-2-ylpyrazol-3-yl)-3-pyridinyl]methoxy]pyridine-4-carbaldehyde
CID 71622318
2-methoxy-5-((2-(4-methyl-1H-pyrazol-5-yl)pyridin-3-yl)methoxy)isonicotinaldehyde
CID 85472869
2-Methoxy-5-[(2-pyrazol-1-yl-3-pyridinyl)methoxy]pyridine-4-carbaldehyde
CID 85472870
5-[[2-[2-(2-Hydroxyethyl)pyrazol-3-yl]-3-pyridinyl]methoxy]-2-methoxypyridine-4-carbaldehyde
CID 85472991

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-5-[[2-[2-(3,3,3-trifluoropropyl)pyrazol-3-yl]-3-pyridinyl]methoxy]pyridine-4-carbaldehyde?
The IUPAC name of 2-methoxy-5-[[2-[2-(3,3,3-trifluoropropyl)pyrazol-3-yl]-3-pyridinyl]methoxy]pyridine-4-carbaldehyde (CID 85473372) is 2-methoxy-5-[[2-[2-(3,3,3-trifluoropropyl)pyrazol-3-yl]-3-pyridinyl]methoxy]pyridine-4-carbaldehyde.
What is the SMILES notation for 2-methoxy-5-[[2-[2-(3,3,3-trifluoropropyl)pyrazol-3-yl]-3-pyridinyl]methoxy]pyridine-4-carbaldehyde?
The canonical SMILES for 2-methoxy-5-[[2-[2-(3,3,3-trifluoropropyl)pyrazol-3-yl]-3-pyridinyl]methoxy]pyridine-4-carbaldehyde is COc1cc(C=O)c(OCc2cccnc2-c2ccnn2CCC(F)(F)F)cn1.
What is the InChIKey of 2-methoxy-5-[[2-[2-(3,3,3-trifluoropropyl)pyrazol-3-yl]-3-pyridinyl]methoxy]pyridine-4-carbaldehyde?
The InChIKey is YXQOVIPZAIRFIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17F3N4O3/c1-28-17-9-14(11-27)16(10-24-17)29-12-13-3-2-6-23-18(13)15-4-7-25-26(15)8-5-19(20,21)22/h2-4,6-7,9-11H,5,8,12H2,1H3.
What are the key properties of 2-methoxy-5-[[2-[2-(3,3,3-trifluoropropyl)pyrazol-3-yl]-3-pyridinyl]methoxy]pyridine-4-carbaldehyde?
2-methoxy-5-[[2-[2-(3,3,3-trifluoropropyl)pyrazol-3-yl]-3-pyridinyl]methoxy]pyridine-4-carbaldehyde has a molecular weight of 406.36 g/mol, XLogP of 3.69, 8 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-5-[[2-[2-(3,3,3-trifluoropropyl)pyrazol-3-yl]-3-pyridinyl]methoxy]pyridine-4-carbaldehyde is sourced from PubChem (CID 85473372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).