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

C20H15F2N3O3 — CID 30897012

IUPAC1,3-benzodioxol-5-yl-[3-(2,4-difluorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]methanone
SMILESO=C(c1ccc2c(c1)OCO2)N1CCc2[nH]nc(-c3ccc(F)cc3F)c2C1
InChIInChI=1S/C20H15F2N3O3/c21-12-2-3-13(15(22)8-12)19-14-9-25(6-5-16(14)23-24-19)20(26)11-1-4-17-18(7-11)28-10-27-17/h1-4,7-8H,5-6,9-10H2,(H,23,24)
InChIKeyIQUDEKXLZUNCBG-UHFFFAOYSA-N
MW383.35 g/mol
LogP3.28
Rot. Bonds2

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

1,3-benzodioxol-5-yl-[3-(2,4-difluorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]methanone (PubChem CID 30897012) has the molecular formula C20H15F2N3O3 and a molecular weight of 383.35 g/mol. Its IUPAC name is 1,3-benzodioxol-5-yl-[3-(2,4-difluorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]methanone.

Molecular Properties

Compound Name1,3-benzodioxol-5-yl-[3-(2,4-difluorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]methanone
PubChem CID30897012
Molecular FormulaC20H15F2N3O3
Molecular Weight383.35 g/mol
Exact Mass383.11
IUPAC Name1,3-benzodioxol-5-yl-[3-(2,4-difluorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]methanone
SMILESO=C(c1ccc2c(c1)OCO2)N1CCc2[nH]nc(-c3ccc(F)cc3F)c2C1
InChIInChI=1S/C20H15F2N3O3/c21-12-2-3-13(15(22)8-12)19-14-9-25(6-5-16(14)23-24-19)20(26)11-1-4-17-18(7-11)28-10-27-17/h1-4,7-8H,5-6,9-10H2,(H,23,24)
InChIKeyIQUDEKXLZUNCBG-UHFFFAOYSA-N
XLogP3.28
TPSA67.45 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.35
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1,3-benzodioxol-5-yl-[3-(2,4-difluorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[3-(1,3-benzodioxol-5-yl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]-(2,6-dihydroxyphenyl)methanone
CID 56754424
1-[4-[3-(2-fluorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carbonyl]phenyl]ethanone
CID 42455062
[3-(4-chlorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]-(3-fluorophenyl)methanone
CID 108726007
(2-chloro-4-pyridinyl)-[3-(4-fluorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]methanone
CID 46999373
3-(2,4-difluorophenyl)-5-(2,3-dihydro-1-benzofuran-5-ylmethyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine;2,2,2-trifluoroacetic acid
CID 154887982
5-(4-fluorobenzoyl)-N,N-dimethyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxamide
CID 91914416
N-(1,3-benzodioxol-5-ylmethyl)-5-[2-(4-fluorophenyl)acetyl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxamide
CID 42874683
1,3-benzodioxol-5-yl(1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl)methanone
CID 110867184
[3-(4-fluorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]-(5-methyl-3-pyridinyl)methanone
CID 46989048
1,3-benzodioxol-5-yl-[3-(2,4-difluorophenoxy)azetidin-1-yl]methanone
CID 134788063
2-amino-1-[3-(2-fluorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]ethanone
CID 56750876
[3-(2-fluorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]-(1-methylindol-3-yl)methanone
CID 46994611

Frequently Asked Questions

What is the IUPAC name of 1,3-benzodioxol-5-yl-[3-(2,4-difluorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]methanone?
The IUPAC name of 1,3-benzodioxol-5-yl-[3-(2,4-difluorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]methanone (CID 30897012) is 1,3-benzodioxol-5-yl-[3-(2,4-difluorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]methanone.
What is the SMILES notation for 1,3-benzodioxol-5-yl-[3-(2,4-difluorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]methanone?
The canonical SMILES for 1,3-benzodioxol-5-yl-[3-(2,4-difluorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]methanone is O=C(c1ccc2c(c1)OCO2)N1CCc2[nH]nc(-c3ccc(F)cc3F)c2C1.
What is the InChIKey of 1,3-benzodioxol-5-yl-[3-(2,4-difluorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]methanone?
The InChIKey is IQUDEKXLZUNCBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15F2N3O3/c21-12-2-3-13(15(22)8-12)19-14-9-25(6-5-16(14)23-24-19)20(26)11-1-4-17-18(7-11)28-10-27-17/h1-4,7-8H,5-6,9-10H2,(H,23,24).
What are the key properties of 1,3-benzodioxol-5-yl-[3-(2,4-difluorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]methanone?
1,3-benzodioxol-5-yl-[3-(2,4-difluorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]methanone has a molecular weight of 383.35 g/mol, XLogP of 3.28, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-benzodioxol-5-yl-[3-(2,4-difluorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]methanone is sourced from PubChem (CID 30897012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).