3-[1-[(2,4-difluorophenyl)methyl]pyrazolo[4,3-b]pyridin-3-yl]prop-2-enoic acid

Name: 3-[1-[(2,4-difluorophenyl)methyl]pyrazolo[4,3-b]pyridin-3-yl]prop-2-enoic acid — Molecular Data
Creator: MolForge
License: https://creativecommons.org/publicdomain/zero/1.0/

C₁₆H₁₁F₂N₃O₂ — CID 66887908

Data last refreshed: 2026-04-15 (MolForge compound catalog, from PubChem)

IUPAC3-[1-[(2,4-difluorophenyl)methyl]pyrazolo[4,3-b]pyridin-3-yl]prop-2-enoic acid

SMILESO=C(O)C=Cc1nn(Cc2ccc(F)cc2F)c2cccnc12

InChIInChI=1S/C16H11F2N3O2/c17-11-4-3-10(12(18)8-11)9-21-14-2-1-7-19-16(14)13(20-21)5-6-15(22)23/h1-8H,9H2,(H,22,23)

InChIKeyDLGWVNASSQAVSJ-UHFFFAOYSA-N

MW315.28 g/mol

LogP2.86

Rot. Bonds4

About 3-[1-[(2,4-difluorophenyl)methyl]pyrazolo[4,3-b]pyridin-3-yl]prop-2-enoic acid

3-[1-[(2,4-difluorophenyl)methyl]pyrazolo[4,3-b]pyridin-3-yl]prop-2-enoic acid (PubChem CID 66887908) has the molecular formula C₁₆H₁₁F₂N₃O₂ and a molecular weight of 315.28 g/mol. Its IUPAC name is 3-[1-[(2,4-difluorophenyl)methyl]pyrazolo[4,3-b]pyridin-3-yl]prop-2-enoic acid.

Molecular Properties

Compound Name	3-[1-[(2,4-difluorophenyl)methyl]pyrazolo[4,3-b]pyridin-3-yl]prop-2-enoic acid
PubChem CID	66887908
Molecular Formula	C₁₆H₁₁F₂N₃O₂
Molecular Weight	315.28 g/mol
Exact Mass	315.08
IUPAC Name	3-[1-[(2,4-difluorophenyl)methyl]pyrazolo[4,3-b]pyridin-3-yl]prop-2-enoic acid
SMILES	O=C(O)C=Cc1nn(Cc2ccc(F)cc2F)c2cccnc12
InChI	InChI=1S/C16H11F2N3O2/c17-11-4-3-10(12(18)8-11)9-21-14-2-1-7-19-16(14)13(20-21)5-6-15(22)23/h1-8H,9H2,(H,22,23)
InChIKey	DLGWVNASSQAVSJ-UHFFFAOYSA-N
XLogP	2.86
TPSA	68.01 Å²
H-Bond Donors	1
H-Bond Acceptors	4
Rotatable Bonds	4
Heavy Atoms	23
Complexity	—

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	315.28
LogP ≤ 5	2.86
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

Structural Alerts	{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 3-[1-[(2,4-difluorophenyl)methyl]pyrazolo[4,3-b]pyridin-3-yl]prop-2-enoic acid?

The IUPAC name of 3-[1-[(2,4-difluorophenyl)methyl]pyrazolo[4,3-b]pyridin-3-yl]prop-2-enoic acid (CID 66887908) is 3-[1-[(2,4-difluorophenyl)methyl]pyrazolo[4,3-b]pyridin-3-yl]prop-2-enoic acid.

What is the SMILES notation for 3-[1-[(2,4-difluorophenyl)methyl]pyrazolo[4,3-b]pyridin-3-yl]prop-2-enoic acid?

The canonical SMILES for 3-[1-[(2,4-difluorophenyl)methyl]pyrazolo[4,3-b]pyridin-3-yl]prop-2-enoic acid is O=C(O)C=Cc1nn(Cc2ccc(F)cc2F)c2cccnc12.

What is the InChIKey of 3-[1-[(2,4-difluorophenyl)methyl]pyrazolo[4,3-b]pyridin-3-yl]prop-2-enoic acid?

The InChIKey is DLGWVNASSQAVSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11F2N3O2/c17-11-4-3-10(12(18)8-11)9-21-14-2-1-7-19-16(14)13(20-21)5-6-15(22)23/h1-8H,9H2,(H,22,23).

What are the key properties of 3-[1-[(2,4-difluorophenyl)methyl]pyrazolo[4,3-b]pyridin-3-yl]prop-2-enoic acid?

3-[1-[(2,4-difluorophenyl)methyl]pyrazolo[4,3-b]pyridin-3-yl]prop-2-enoic acid has a molecular weight of 315.28 g/mol, XLogP of 2.86, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[1-[(2,4-difluorophenyl)methyl]pyrazolo[4,3-b]pyridin-3-yl]prop-2-enoic acid is sourced from PubChem (CID 66887908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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Sources

PubChem CID 66887908 — identifiers, structure, computed properties (public domain)

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