4-(2-ethoxy-4,5-difluorophenyl)-2-(1,2,3,6-tetrahydropyridin-4-yl)-1H-pyrrolo[2,3-b]pyridine

C20H19F2N3O — CID 90420356

IUPAC4-(2-ethoxy-4,5-difluorophenyl)-2-(1,2,3,6-tetrahydropyridin-4-yl)-1H-pyrrolo[2,3-b]pyridine
SMILESCCOc1cc(F)c(F)cc1-c1ccnc2[nH]c(C3=CCNCC3)cc12
InChIInChI=1S/C20H19F2N3O/c1-2-26-19-11-17(22)16(21)9-14(19)13-5-8-24-20-15(13)10-18(25-20)12-3-6-23-7-4-12/h3,5,8-11,23H,2,4,6-7H2,1H3,(H,24,25)
InChIKeyXDNKQEVZHYPHGZ-UHFFFAOYSA-N
MW355.39 g/mol
LogP4.28
Rot. Bonds4

About 4-(2-ethoxy-4,5-difluorophenyl)-2-(1,2,3,6-tetrahydropyridin-4-yl)-1H-pyrrolo[2,3-b]pyridine

4-(2-ethoxy-4,5-difluorophenyl)-2-(1,2,3,6-tetrahydropyridin-4-yl)-1H-pyrrolo[2,3-b]pyridine (PubChem CID 90420356) has the molecular formula C20H19F2N3O and a molecular weight of 355.39 g/mol. Its IUPAC name is 4-(2-ethoxy-4,5-difluorophenyl)-2-(1,2,3,6-tetrahydropyridin-4-yl)-1H-pyrrolo[2,3-b]pyridine.

Molecular Properties

Compound Name4-(2-ethoxy-4,5-difluorophenyl)-2-(1,2,3,6-tetrahydropyridin-4-yl)-1H-pyrrolo[2,3-b]pyridine
PubChem CID90420356
Molecular FormulaC20H19F2N3O
Molecular Weight355.39 g/mol
Exact Mass355.15
IUPAC Name4-(2-ethoxy-4,5-difluorophenyl)-2-(1,2,3,6-tetrahydropyridin-4-yl)-1H-pyrrolo[2,3-b]pyridine
SMILESCCOc1cc(F)c(F)cc1-c1ccnc2[nH]c(C3=CCNCC3)cc12
InChIInChI=1S/C20H19F2N3O/c1-2-26-19-11-17(22)16(21)9-14(19)13-5-8-24-20-15(13)10-18(25-20)12-3-6-23-7-4-12/h3,5,8-11,23H,2,4,6-7H2,1H3,(H,24,25)
InChIKeyXDNKQEVZHYPHGZ-UHFFFAOYSA-N
XLogP4.28
TPSA49.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.39
LogP ≤ 54.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(2-ethoxy-4,5-difluorophenyl)-2-(1,2,3,6-tetrahydropyridin-4-yl)-1H-pyrrolo[2,3-b]pyridine?
The IUPAC name of 4-(2-ethoxy-4,5-difluorophenyl)-2-(1,2,3,6-tetrahydropyridin-4-yl)-1H-pyrrolo[2,3-b]pyridine (CID 90420356) is 4-(2-ethoxy-4,5-difluorophenyl)-2-(1,2,3,6-tetrahydropyridin-4-yl)-1H-pyrrolo[2,3-b]pyridine.
What is the SMILES notation for 4-(2-ethoxy-4,5-difluorophenyl)-2-(1,2,3,6-tetrahydropyridin-4-yl)-1H-pyrrolo[2,3-b]pyridine?
The canonical SMILES for 4-(2-ethoxy-4,5-difluorophenyl)-2-(1,2,3,6-tetrahydropyridin-4-yl)-1H-pyrrolo[2,3-b]pyridine is CCOc1cc(F)c(F)cc1-c1ccnc2[nH]c(C3=CCNCC3)cc12.
What is the InChIKey of 4-(2-ethoxy-4,5-difluorophenyl)-2-(1,2,3,6-tetrahydropyridin-4-yl)-1H-pyrrolo[2,3-b]pyridine?
The InChIKey is XDNKQEVZHYPHGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19F2N3O/c1-2-26-19-11-17(22)16(21)9-14(19)13-5-8-24-20-15(13)10-18(25-20)12-3-6-23-7-4-12/h3,5,8-11,23H,2,4,6-7H2,1H3,(H,24,25).
What are the key properties of 4-(2-ethoxy-4,5-difluorophenyl)-2-(1,2,3,6-tetrahydropyridin-4-yl)-1H-pyrrolo[2,3-b]pyridine?
4-(2-ethoxy-4,5-difluorophenyl)-2-(1,2,3,6-tetrahydropyridin-4-yl)-1H-pyrrolo[2,3-b]pyridine has a molecular weight of 355.39 g/mol, XLogP of 4.28, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-ethoxy-4,5-difluorophenyl)-2-(1,2,3,6-tetrahydropyridin-4-yl)-1H-pyrrolo[2,3-b]pyridine is sourced from PubChem (CID 90420356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).