ethyl 1-[(2,3-difluorophenyl)methyl]pyrazolo[5,4-b]pyridine-3-carboxylate

C16H13F2N3O2 — CID 58739210

IUPACethyl 1-[(2,3-difluorophenyl)methyl]pyrazolo[5,4-b]pyridine-3-carboxylate
SMILESCCOC(=O)c1nn(Cc2cccc(F)c2F)c2ncccc12
InChIInChI=1S/C16H13F2N3O2/c1-2-23-16(22)14-11-6-4-8-19-15(11)21(20-14)9-10-5-3-7-12(17)13(10)18/h3-8H,2,9H2,1H3
InChIKeyVKLXAKFMNMDHAC-UHFFFAOYSA-N
MW317.30 g/mol
LogP2.93
Rot. Bonds4

About ethyl 1-[(2,3-difluorophenyl)methyl]pyrazolo[5,4-b]pyridine-3-carboxylate

ethyl 1-[(2,3-difluorophenyl)methyl]pyrazolo[5,4-b]pyridine-3-carboxylate (PubChem CID 58739210) has the molecular formula C16H13F2N3O2 and a molecular weight of 317.30 g/mol. Its IUPAC name is ethyl 1-[(2,3-difluorophenyl)methyl]pyrazolo[5,4-b]pyridine-3-carboxylate.

Molecular Properties

Compound Nameethyl 1-[(2,3-difluorophenyl)methyl]pyrazolo[5,4-b]pyridine-3-carboxylate
PubChem CID58739210
Molecular FormulaC16H13F2N3O2
Molecular Weight317.30 g/mol
Exact Mass317.10
IUPAC Nameethyl 1-[(2,3-difluorophenyl)methyl]pyrazolo[5,4-b]pyridine-3-carboxylate
SMILESCCOC(=O)c1nn(Cc2cccc(F)c2F)c2ncccc12
InChIInChI=1S/C16H13F2N3O2/c1-2-23-16(22)14-11-6-4-8-19-15(11)21(20-14)9-10-5-3-7-12(17)13(10)18/h3-8H,2,9H2,1H3
InChIKeyVKLXAKFMNMDHAC-UHFFFAOYSA-N
XLogP2.93
TPSA57.01 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.30
LogP ≤ 52.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethyl 1-[(2,3-difluorophenyl)methyl]pyrazolo[5,4-b]pyridine-3-carboxylate?
The IUPAC name of ethyl 1-[(2,3-difluorophenyl)methyl]pyrazolo[5,4-b]pyridine-3-carboxylate (CID 58739210) is ethyl 1-[(2,3-difluorophenyl)methyl]pyrazolo[5,4-b]pyridine-3-carboxylate.
What is the SMILES notation for ethyl 1-[(2,3-difluorophenyl)methyl]pyrazolo[5,4-b]pyridine-3-carboxylate?
The canonical SMILES for ethyl 1-[(2,3-difluorophenyl)methyl]pyrazolo[5,4-b]pyridine-3-carboxylate is CCOC(=O)c1nn(Cc2cccc(F)c2F)c2ncccc12.
What is the InChIKey of ethyl 1-[(2,3-difluorophenyl)methyl]pyrazolo[5,4-b]pyridine-3-carboxylate?
The InChIKey is VKLXAKFMNMDHAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13F2N3O2/c1-2-23-16(22)14-11-6-4-8-19-15(11)21(20-14)9-10-5-3-7-12(17)13(10)18/h3-8H,2,9H2,1H3.
What are the key properties of ethyl 1-[(2,3-difluorophenyl)methyl]pyrazolo[5,4-b]pyridine-3-carboxylate?
ethyl 1-[(2,3-difluorophenyl)methyl]pyrazolo[5,4-b]pyridine-3-carboxylate has a molecular weight of 317.30 g/mol, XLogP of 2.93, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-[(2,3-difluorophenyl)methyl]pyrazolo[5,4-b]pyridine-3-carboxylate is sourced from PubChem (CID 58739210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).