[3-(3,4-difluorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]-(2-ethoxyphenyl)methanone

C21H19F2N3O2 — CID 56746403

IUPAC[3-(3,4-difluorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]-(2-ethoxyphenyl)methanone
SMILESCCOc1ccccc1C(=O)N1CCc2[nH]nc(-c3ccc(F)c(F)c3)c2C1
InChIInChI=1S/C21H19F2N3O2/c1-2-28-19-6-4-3-5-14(19)21(27)26-10-9-18-15(12-26)20(25-24-18)13-7-8-16(22)17(23)11-13/h3-8,11H,2,9-10,12H2,1H3,(H,24,25)
InChIKeyUZESZONILFQPPF-UHFFFAOYSA-N
MW383.40 g/mol
LogP3.95
Rot. Bonds4

About [3-(3,4-difluorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]-(2-ethoxyphenyl)methanone

[3-(3,4-difluorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]-(2-ethoxyphenyl)methanone (PubChem CID 56746403) has the molecular formula C21H19F2N3O2 and a molecular weight of 383.40 g/mol. Its IUPAC name is [3-(3,4-difluorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]-(2-ethoxyphenyl)methanone.

Molecular Properties

Compound Name[3-(3,4-difluorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]-(2-ethoxyphenyl)methanone
PubChem CID56746403
Molecular FormulaC21H19F2N3O2
Molecular Weight383.40 g/mol
Exact Mass383.14
IUPAC Name[3-(3,4-difluorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]-(2-ethoxyphenyl)methanone
SMILESCCOc1ccccc1C(=O)N1CCc2[nH]nc(-c3ccc(F)c(F)c3)c2C1
InChIInChI=1S/C21H19F2N3O2/c1-2-28-19-6-4-3-5-14(19)21(27)26-10-9-18-15(12-26)20(25-24-18)13-7-8-16(22)17(23)11-13/h3-8,11H,2,9-10,12H2,1H3,(H,24,25)
InChIKeyUZESZONILFQPPF-UHFFFAOYSA-N
XLogP3.95
TPSA58.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.40
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [3-(3,4-difluorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]-(2-ethoxyphenyl)methanone?
The IUPAC name of [3-(3,4-difluorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]-(2-ethoxyphenyl)methanone (CID 56746403) is [3-(3,4-difluorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]-(2-ethoxyphenyl)methanone.
What is the SMILES notation for [3-(3,4-difluorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]-(2-ethoxyphenyl)methanone?
The canonical SMILES for [3-(3,4-difluorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]-(2-ethoxyphenyl)methanone is CCOc1ccccc1C(=O)N1CCc2[nH]nc(-c3ccc(F)c(F)c3)c2C1.
What is the InChIKey of [3-(3,4-difluorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]-(2-ethoxyphenyl)methanone?
The InChIKey is UZESZONILFQPPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19F2N3O2/c1-2-28-19-6-4-3-5-14(19)21(27)26-10-9-18-15(12-26)20(25-24-18)13-7-8-16(22)17(23)11-13/h3-8,11H,2,9-10,12H2,1H3,(H,24,25).
What are the key properties of [3-(3,4-difluorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]-(2-ethoxyphenyl)methanone?
[3-(3,4-difluorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]-(2-ethoxyphenyl)methanone has a molecular weight of 383.40 g/mol, XLogP of 3.95, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(3,4-difluorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]-(2-ethoxyphenyl)methanone is sourced from PubChem (CID 56746403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).