2-(1,3-benzodioxol-5-yl)-N-[(4R)-1-(2,4-difluorophenyl)-4,5,6,7-tetrahydroindazol-4-yl]acetamide

C22H19F2N3O3 — CID 25279806

IUPAC2-(1,3-benzodioxol-5-yl)-N-[(4R)-1-(2,4-difluorophenyl)-4,5,6,7-tetrahydroindazol-4-yl]acetamide
SMILESO=C(Cc1ccc2c(c1)OCO2)N[C@@H]1CCCc2c1cnn2-c1ccc(F)cc1F
InChIInChI=1S/C22H19F2N3O3/c23-14-5-6-19(16(24)10-14)27-18-3-1-2-17(15(18)11-25-27)26-22(28)9-13-4-7-20-21(8-13)30-12-29-20/h4-8,10-11,17H,1-3,9,12H2,(H,26,28)/t17-/m1/s1
InChIKeyUOXYOCBWAXEOMS-QGZVFWFLSA-N
MW411.41 g/mol
LogP3.62
Rot. Bonds4

About 2-(1,3-benzodioxol-5-yl)-N-[(4R)-1-(2,4-difluorophenyl)-4,5,6,7-tetrahydroindazol-4-yl]acetamide

2-(1,3-benzodioxol-5-yl)-N-[(4R)-1-(2,4-difluorophenyl)-4,5,6,7-tetrahydroindazol-4-yl]acetamide (PubChem CID 25279806) has the molecular formula C22H19F2N3O3 and a molecular weight of 411.41 g/mol. Its IUPAC name is 2-(1,3-benzodioxol-5-yl)-N-[(4R)-1-(2,4-difluorophenyl)-4,5,6,7-tetrahydroindazol-4-yl]acetamide.

Molecular Properties

Compound Name2-(1,3-benzodioxol-5-yl)-N-[(4R)-1-(2,4-difluorophenyl)-4,5,6,7-tetrahydroindazol-4-yl]acetamide
PubChem CID25279806
Molecular FormulaC22H19F2N3O3
Molecular Weight411.41 g/mol
Exact Mass411.14
IUPAC Name2-(1,3-benzodioxol-5-yl)-N-[(4R)-1-(2,4-difluorophenyl)-4,5,6,7-tetrahydroindazol-4-yl]acetamide
SMILESO=C(Cc1ccc2c(c1)OCO2)N[C@@H]1CCCc2c1cnn2-c1ccc(F)cc1F
InChIInChI=1S/C22H19F2N3O3/c23-14-5-6-19(16(24)10-14)27-18-3-1-2-17(15(18)11-25-27)26-22(28)9-13-4-7-20-21(8-13)30-12-29-20/h4-8,10-11,17H,1-3,9,12H2,(H,26,28)/t17-/m1/s1
InChIKeyUOXYOCBWAXEOMS-QGZVFWFLSA-N
XLogP3.62
TPSA65.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.41
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(4R)-1-(2,4-difluorophenyl)-4,5,6,7-tetrahydroindazol-4-yl]-2-(3,4-dimethoxyphenyl)acetamide
CID 42094250
N-[1-(2,4-difluorophenyl)-4,5,6,7-tetrahydroindazol-4-yl]-3-pyridin-4-ylpropanamide
CID 24817490
N-[(4R)-1-(2,4-difluorophenyl)-4,5,6,7-tetrahydroindazol-4-yl]-2-([1,2,4]triazolo[1,5-a]pyrimidin-6-yl)acetamide
CID 42458323
N-[(4S)-1-(2,4-difluorophenyl)-4,5,6,7-tetrahydroindazol-4-yl]-3-(3-methylpyrazol-1-yl)propanamide
CID 25283597
N-[(4R)-1-(2,4-difluorophenyl)-4,5,6,7-tetrahydroindazol-4-yl]thiophene-3-carboxamide
CID 42383497
2-(1,3-benzodioxol-5-yl)-N-[1-(3-fluorophenyl)-6,6-dimethyl-5,7-dihydro-4H-indazol-4-yl]acetamide
CID 45216508
N-[1-(2,4-difluorophenyl)-4,5,6,7-tetrahydroindazol-4-yl]-2-methylsulfanyl-1,3-thiazole-4-carboxamide
CID 45202984
N-[(4S)-1-(2-fluorophenyl)-4,5,6,7-tetrahydroindazol-4-yl]-2-([1,2,4]triazolo[1,5-a]pyrimidin-6-yl)acetamide
CID 42384413
3-(3,4-dimethoxyphenyl)-N-[(4S)-1-(2-fluorophenyl)-4,5,6,7-tetrahydroindazol-4-yl]propanamide
CID 26326251
tert-butyl 2-[[1-(2,4-difluorophenyl)-4,5,6,7-tetrahydroindazol-4-yl]carbamoyl]piperidine-1-carboxylate
CID 46916315
2-(1,3-benzodioxol-5-yl)-N-[(4R)-6,6-dimethyl-1-(4-methylphenyl)-5,7-dihydro-4H-indazol-4-yl]acetamide
CID 25460962
N-[(4S)-1-(3,5-difluorophenyl)-4,5,6,7-tetrahydroindazol-4-yl]-2-hydroxyacetamide
CID 97125555

Frequently Asked Questions

What is the IUPAC name of 2-(1,3-benzodioxol-5-yl)-N-[(4R)-1-(2,4-difluorophenyl)-4,5,6,7-tetrahydroindazol-4-yl]acetamide?
The IUPAC name of 2-(1,3-benzodioxol-5-yl)-N-[(4R)-1-(2,4-difluorophenyl)-4,5,6,7-tetrahydroindazol-4-yl]acetamide (CID 25279806) is 2-(1,3-benzodioxol-5-yl)-N-[(4R)-1-(2,4-difluorophenyl)-4,5,6,7-tetrahydroindazol-4-yl]acetamide.
What is the SMILES notation for 2-(1,3-benzodioxol-5-yl)-N-[(4R)-1-(2,4-difluorophenyl)-4,5,6,7-tetrahydroindazol-4-yl]acetamide?
The canonical SMILES for 2-(1,3-benzodioxol-5-yl)-N-[(4R)-1-(2,4-difluorophenyl)-4,5,6,7-tetrahydroindazol-4-yl]acetamide is O=C(Cc1ccc2c(c1)OCO2)N[C@@H]1CCCc2c1cnn2-c1ccc(F)cc1F.
What is the InChIKey of 2-(1,3-benzodioxol-5-yl)-N-[(4R)-1-(2,4-difluorophenyl)-4,5,6,7-tetrahydroindazol-4-yl]acetamide?
The InChIKey is UOXYOCBWAXEOMS-QGZVFWFLSA-N. The full InChI is InChI=1S/C22H19F2N3O3/c23-14-5-6-19(16(24)10-14)27-18-3-1-2-17(15(18)11-25-27)26-22(28)9-13-4-7-20-21(8-13)30-12-29-20/h4-8,10-11,17H,1-3,9,12H2,(H,26,28)/t17-/m1/s1.
What are the key properties of 2-(1,3-benzodioxol-5-yl)-N-[(4R)-1-(2,4-difluorophenyl)-4,5,6,7-tetrahydroindazol-4-yl]acetamide?
2-(1,3-benzodioxol-5-yl)-N-[(4R)-1-(2,4-difluorophenyl)-4,5,6,7-tetrahydroindazol-4-yl]acetamide has a molecular weight of 411.41 g/mol, XLogP of 3.62, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,3-benzodioxol-5-yl)-N-[(4R)-1-(2,4-difluorophenyl)-4,5,6,7-tetrahydroindazol-4-yl]acetamide is sourced from PubChem (CID 25279806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).