3-[2-(difluoromethoxy)-5-fluoro-4-pyridinyl]-1-propylpyrazolo[4,3-b]pyridine-6-carbaldehyde

C16H13F3N4O2 — CID 162358885

IUPAC3-[2-(difluoromethoxy)-5-fluoro-4-pyridinyl]-1-propylpyrazolo[4,3-b]pyridine-6-carbaldehyde
SMILESCCCn1nc(-c2cc(OC(F)F)ncc2F)c2ncc(C=O)cc21
InChIInChI=1S/C16H13F3N4O2/c1-2-3-23-12-4-9(8-24)6-21-15(12)14(22-23)10-5-13(25-16(18)19)20-7-11(10)17/h4-8,16H,2-3H2,1H3
InChIKeyJCIDPBMQQLAPDE-UHFFFAOYSA-N
MW350.30 g/mol
LogP3.46
Rot. Bonds6

About 3-[2-(difluoromethoxy)-5-fluoro-4-pyridinyl]-1-propylpyrazolo[4,3-b]pyridine-6-carbaldehyde

3-[2-(difluoromethoxy)-5-fluoro-4-pyridinyl]-1-propylpyrazolo[4,3-b]pyridine-6-carbaldehyde (PubChem CID 162358885) has the molecular formula C16H13F3N4O2 and a molecular weight of 350.30 g/mol. Its IUPAC name is 3-[2-(difluoromethoxy)-5-fluoro-4-pyridinyl]-1-propylpyrazolo[4,3-b]pyridine-6-carbaldehyde.

Molecular Properties

Compound Name3-[2-(difluoromethoxy)-5-fluoro-4-pyridinyl]-1-propylpyrazolo[4,3-b]pyridine-6-carbaldehyde
PubChem CID162358885
Molecular FormulaC16H13F3N4O2
Molecular Weight350.30 g/mol
Exact Mass350.10
IUPAC Name3-[2-(difluoromethoxy)-5-fluoro-4-pyridinyl]-1-propylpyrazolo[4,3-b]pyridine-6-carbaldehyde
SMILESCCCn1nc(-c2cc(OC(F)F)ncc2F)c2ncc(C=O)cc21
InChIInChI=1S/C16H13F3N4O2/c1-2-3-23-12-4-9(8-24)6-21-15(12)14(22-23)10-5-13(25-16(18)19)20-7-11(10)17/h4-8,16H,2-3H2,1H3
InChIKeyJCIDPBMQQLAPDE-UHFFFAOYSA-N
XLogP3.46
TPSA69.90 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.30
LogP ≤ 53.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

3-[5-(difluoromethoxy)-2-fluorophenyl]-1-(3-hydroxy-3-methylbutan-2-yl)pyrazolo[4,3-b]pyridine-6-carbaldehyde;N,3-dimethylthietan-3-amine
CID 162359368
2-[2-(difluoromethoxy)-5-fluoro-4-pyridinyl]acetic acid
CID 131870546
3-[2-(difluoromethoxy)-4-pyridinyl]-1-propan-2-ylpyrazolo[4,3-b]pyridine-6-carbaldehyde;N,3-dimethyl-1-oxothietan-3-amine
CID 162358961
2-(difluoromethoxy)pyridine-4-carbaldehyde
CID 71302320
4-chloro-2-(difluoromethoxy)-5-fluoropyridine
CID 118822771
3-[2-(difluoromethoxy)-5-fluoro-4-pyridinyl]-N-(3-methylthiolan-3-yl)-1-propan-2-yl-4,5,6,7-tetrahydroindazole-6-carboxamide
CID 175471824
5-fluoro-6-propan-2-yloxypyridine-3-carbaldehyde
CID 131547635
3-(2-fluoro-4,5-dimethoxyphenyl)-1-propylpyrazole-4-carbaldehyde
CID 81042479
2-[2-(difluoromethoxy)-4,5-difluorophenyl]-1,3-thiazole-5-carbaldehyde
CID 178133496
5-fluoro-6-(2,3,5-trichlorophenyl)pyridine-3-carbaldehyde
CID 134637533
3-[3-(difluoromethoxy)phenyl]-1-propan-2-ylpyrazolo[4,3-b]pyridine-6-carbaldehyde;ethane;methanol;N-methyloxolan-3-amine
CID 162359229
7-fluoro-8-methylquinoline-3-carbaldehyde
CID 130113789

Frequently Asked Questions

What is the IUPAC name of 3-[2-(difluoromethoxy)-5-fluoro-4-pyridinyl]-1-propylpyrazolo[4,3-b]pyridine-6-carbaldehyde?
The IUPAC name of 3-[2-(difluoromethoxy)-5-fluoro-4-pyridinyl]-1-propylpyrazolo[4,3-b]pyridine-6-carbaldehyde (CID 162358885) is 3-[2-(difluoromethoxy)-5-fluoro-4-pyridinyl]-1-propylpyrazolo[4,3-b]pyridine-6-carbaldehyde.
What is the SMILES notation for 3-[2-(difluoromethoxy)-5-fluoro-4-pyridinyl]-1-propylpyrazolo[4,3-b]pyridine-6-carbaldehyde?
The canonical SMILES for 3-[2-(difluoromethoxy)-5-fluoro-4-pyridinyl]-1-propylpyrazolo[4,3-b]pyridine-6-carbaldehyde is CCCn1nc(-c2cc(OC(F)F)ncc2F)c2ncc(C=O)cc21.
What is the InChIKey of 3-[2-(difluoromethoxy)-5-fluoro-4-pyridinyl]-1-propylpyrazolo[4,3-b]pyridine-6-carbaldehyde?
The InChIKey is JCIDPBMQQLAPDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13F3N4O2/c1-2-3-23-12-4-9(8-24)6-21-15(12)14(22-23)10-5-13(25-16(18)19)20-7-11(10)17/h4-8,16H,2-3H2,1H3.
What are the key properties of 3-[2-(difluoromethoxy)-5-fluoro-4-pyridinyl]-1-propylpyrazolo[4,3-b]pyridine-6-carbaldehyde?
3-[2-(difluoromethoxy)-5-fluoro-4-pyridinyl]-1-propylpyrazolo[4,3-b]pyridine-6-carbaldehyde has a molecular weight of 350.30 g/mol, XLogP of 3.46, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(difluoromethoxy)-5-fluoro-4-pyridinyl]-1-propylpyrazolo[4,3-b]pyridine-6-carbaldehyde is sourced from PubChem (CID 162358885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).