methyl 1-[[2,6-difluoro-4-(2-methoxyethoxy)phenyl]methyl]pyrazolo[4,3-b]pyridine-3-carboxylate

C18H17F2N3O4 — CID 130430062

IUPACmethyl 1-[[2,6-difluoro-4-(2-methoxyethoxy)phenyl]methyl]pyrazolo[4,3-b]pyridine-3-carboxylate
SMILESCOCCOc1cc(F)c(Cn2nc(C(=O)OC)c3ncccc32)c(F)c1
InChIInChI=1S/C18H17F2N3O4/c1-25-6-7-27-11-8-13(19)12(14(20)9-11)10-23-15-4-3-5-21-16(15)17(22-23)18(24)26-2/h3-5,8-9H,6-7,10H2,1-2H3
InChIKeyUHRVLLOQOCTUGV-UHFFFAOYSA-N
MW377.35 g/mol
LogP2.57
Rot. Bonds7

About methyl 1-[[2,6-difluoro-4-(2-methoxyethoxy)phenyl]methyl]pyrazolo[4,3-b]pyridine-3-carboxylate

methyl 1-[[2,6-difluoro-4-(2-methoxyethoxy)phenyl]methyl]pyrazolo[4,3-b]pyridine-3-carboxylate (PubChem CID 130430062) has the molecular formula C18H17F2N3O4 and a molecular weight of 377.35 g/mol. Its IUPAC name is methyl 1-[[2,6-difluoro-4-(2-methoxyethoxy)phenyl]methyl]pyrazolo[4,3-b]pyridine-3-carboxylate.

Molecular Properties

Compound Namemethyl 1-[[2,6-difluoro-4-(2-methoxyethoxy)phenyl]methyl]pyrazolo[4,3-b]pyridine-3-carboxylate
PubChem CID130430062
Molecular FormulaC18H17F2N3O4
Molecular Weight377.35 g/mol
Exact Mass377.12
IUPAC Namemethyl 1-[[2,6-difluoro-4-(2-methoxyethoxy)phenyl]methyl]pyrazolo[4,3-b]pyridine-3-carboxylate
SMILESCOCCOc1cc(F)c(Cn2nc(C(=O)OC)c3ncccc32)c(F)c1
InChIInChI=1S/C18H17F2N3O4/c1-25-6-7-27-11-8-13(19)12(14(20)9-11)10-23-15-4-3-5-21-16(15)17(22-23)18(24)26-2/h3-5,8-9H,6-7,10H2,1-2H3
InChIKeyUHRVLLOQOCTUGV-UHFFFAOYSA-N
XLogP2.57
TPSA75.47 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.35
LogP ≤ 52.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

2-[1-[[2,6-difluoro-4-(2-methoxyethoxy)phenyl]methyl]indazol-3-yl]-5-methoxypyrimidin-4-amine
CID 118974869
1-[(4-chloro-2-fluorophenyl)methyl]pyrazolo[4,3-b]pyridine-3-carbohydrazide
CID 66889396
methyl 4-[1-[(2-chloro-6-methylphenyl)methyl]pyrazolo[4,3-b]pyridin-3-yl]-3-fluorobenzoate
CID 118259248
3-fluoro-N-(2-methoxyethyl)pyridine-2-carboxamide
CID 110474737
methyl 1-methyl-4-oxopyrido[3,2-c]pyridazine-3-carboxylate
CID 129036154
N-[[[2-[1-[(4-ethoxy-2,6-difluorophenyl)methyl]indazol-3-yl]-5-methoxypyrimidin-4-yl]amino]methyl]pyrazine-2-carboxamide
CID 140701618
2-[3,5-difluoro-4-[[3-[5-methoxy-4-[(2-methyl-4-pyridinyl)amino]pyrimidin-2-yl]indazol-1-yl]methyl]phenoxy]ethyl (2S)-2-aminopropanoate
CID 118974946
N-[4-[[2-[1-[[2,6-difluoro-4-(2-hydroxyethoxy)phenyl]methyl]indazol-3-yl]-5-methoxypyrimidin-4-yl]amino]-2-pyridinyl]acetamide
CID 118974944
methyl 1-(3-methoxypropyl)indazole-3-carboxylate
CID 68501253
2-[1-[[2,6-difluoro-4-(2-methoxyethoxy)phenyl]methyl]indazol-3-yl]-N-(3-methoxy-4-pyridinyl)-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidin-4-amine
CID 118962676
1-[[2-fluoro-4-(1-methylpyrazol-4-yl)phenyl]methyl]pyrazolo[4,3-b]pyridine-3-carboxylic acid;hydrochloride
CID 121452338
methyl 5-(2-methoxyethoxy)pyridine-2-carboxylate
CID 66665588

Frequently Asked Questions

What is the IUPAC name of methyl 1-[[2,6-difluoro-4-(2-methoxyethoxy)phenyl]methyl]pyrazolo[4,3-b]pyridine-3-carboxylate?
The IUPAC name of methyl 1-[[2,6-difluoro-4-(2-methoxyethoxy)phenyl]methyl]pyrazolo[4,3-b]pyridine-3-carboxylate (CID 130430062) is methyl 1-[[2,6-difluoro-4-(2-methoxyethoxy)phenyl]methyl]pyrazolo[4,3-b]pyridine-3-carboxylate.
What is the SMILES notation for methyl 1-[[2,6-difluoro-4-(2-methoxyethoxy)phenyl]methyl]pyrazolo[4,3-b]pyridine-3-carboxylate?
The canonical SMILES for methyl 1-[[2,6-difluoro-4-(2-methoxyethoxy)phenyl]methyl]pyrazolo[4,3-b]pyridine-3-carboxylate is COCCOc1cc(F)c(Cn2nc(C(=O)OC)c3ncccc32)c(F)c1.
What is the InChIKey of methyl 1-[[2,6-difluoro-4-(2-methoxyethoxy)phenyl]methyl]pyrazolo[4,3-b]pyridine-3-carboxylate?
The InChIKey is UHRVLLOQOCTUGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17F2N3O4/c1-25-6-7-27-11-8-13(19)12(14(20)9-11)10-23-15-4-3-5-21-16(15)17(22-23)18(24)26-2/h3-5,8-9H,6-7,10H2,1-2H3.
What are the key properties of methyl 1-[[2,6-difluoro-4-(2-methoxyethoxy)phenyl]methyl]pyrazolo[4,3-b]pyridine-3-carboxylate?
methyl 1-[[2,6-difluoro-4-(2-methoxyethoxy)phenyl]methyl]pyrazolo[4,3-b]pyridine-3-carboxylate has a molecular weight of 377.35 g/mol, XLogP of 2.57, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-[[2,6-difluoro-4-(2-methoxyethoxy)phenyl]methyl]pyrazolo[4,3-b]pyridine-3-carboxylate is sourced from PubChem (CID 130430062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).