(2R)-2-(3,4-difluorophenoxy)-N-[(4R)-2-methyl-4,5,6,7-tetrahydroindazol-4-yl]propanamide

C17H19F2N3O2 — CID 100746402

IUPAC(2R)-2-(3,4-difluorophenoxy)-N-[(4R)-2-methyl-4,5,6,7-tetrahydroindazol-4-yl]propanamide
SMILESC[C@@H](Oc1ccc(F)c(F)c1)C(=O)N[C@@H]1CCCc2nn(C)cc21
InChIInChI=1S/C17H19F2N3O2/c1-10(24-11-6-7-13(18)14(19)8-11)17(23)20-15-4-3-5-16-12(15)9-22(2)21-16/h6-10,15H,3-5H2,1-2H3,(H,20,23)/t10-,15-/m1/s1
InChIKeyCNENNESLNKCONY-MEBBXXQBSA-N
MW335.35 g/mol
LogP2.66
Rot. Bonds4

About (2R)-2-(3,4-difluorophenoxy)-N-[(4R)-2-methyl-4,5,6,7-tetrahydroindazol-4-yl]propanamide

(2R)-2-(3,4-difluorophenoxy)-N-[(4R)-2-methyl-4,5,6,7-tetrahydroindazol-4-yl]propanamide (PubChem CID 100746402) has the molecular formula C17H19F2N3O2 and a molecular weight of 335.35 g/mol. Its IUPAC name is (2R)-2-(3,4-difluorophenoxy)-N-[(4R)-2-methyl-4,5,6,7-tetrahydroindazol-4-yl]propanamide.

Molecular Properties

Compound Name(2R)-2-(3,4-difluorophenoxy)-N-[(4R)-2-methyl-4,5,6,7-tetrahydroindazol-4-yl]propanamide
PubChem CID100746402
Molecular FormulaC17H19F2N3O2
Molecular Weight335.35 g/mol
Exact Mass335.14
IUPAC Name(2R)-2-(3,4-difluorophenoxy)-N-[(4R)-2-methyl-4,5,6,7-tetrahydroindazol-4-yl]propanamide
SMILESC[C@@H](Oc1ccc(F)c(F)c1)C(=O)N[C@@H]1CCCc2nn(C)cc21
InChIInChI=1S/C17H19F2N3O2/c1-10(24-11-6-7-13(18)14(19)8-11)17(23)20-15-4-3-5-16-12(15)9-22(2)21-16/h6-10,15H,3-5H2,1-2H3,(H,20,23)/t10-,15-/m1/s1
InChIKeyCNENNESLNKCONY-MEBBXXQBSA-N
XLogP2.66
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.35
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (2R)-2-(3,4-difluorophenoxy)-N-[(4R)-2-methyl-4,5,6,7-tetrahydroindazol-4-yl]propanamide with MolForge

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Related Compounds

1-[(1R)-1-(2-fluoro-6-methoxyphenyl)ethyl]-3-[(4R)-2-methyl-4,5,6,7-tetrahydroindazol-4-yl]urea
CID 124855059
4-[2-(3,4-difluorophenoxy)propanoylamino]cyclohexane-1-carboxylic acid
CID 119229245
1-cyclobutyloxy-3-(2-methyl-4,5,6,7-tetrahydroindazol-4-yl)urea
CID 167954670
N-[(4S)-2-methyl-4,5,6,7-tetrahydroindazol-4-yl]-3,5-bis(trifluoromethyl)benzamide
CID 100746456
(2S)-N-(cyclopropylmethyl)-2-(3,4-difluorophenoxy)propanamide
CID 95160340
4-(dimethylamino)-N-(2-methyl-4,5,6,7-tetrahydroindazol-4-yl)benzamide
CID 119038060
(2R)-2-(3-chloro-4-fluorophenoxy)-N-cyclopropylpropanamide
CID 7751160
N-[2-(aminomethyl)cyclopentyl]-2-(3,4-difluorophenoxy)propanamide;hydrochloride
CID 119601484
4-amino-3,5-dichloro-N-[(4S)-2-methyl-4,5,6,7-tetrahydroindazol-4-yl]benzamide
CID 124874994
(2S)-1-[[(4R)-2-methyl-4,5,6,7-tetrahydroindazol-4-yl]amino]propan-2-ol
CID 100638267
(2R)-1-[[(4R)-2-methyl-4,5,6,7-tetrahydroindazol-4-yl]amino]propan-2-ol
CID 100638279
2-(3-bromo-4-fluorophenoxy)-N-cyclopentylpropanamide
CID 83233705

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(3,4-difluorophenoxy)-N-[(4R)-2-methyl-4,5,6,7-tetrahydroindazol-4-yl]propanamide?
The IUPAC name of (2R)-2-(3,4-difluorophenoxy)-N-[(4R)-2-methyl-4,5,6,7-tetrahydroindazol-4-yl]propanamide (CID 100746402) is (2R)-2-(3,4-difluorophenoxy)-N-[(4R)-2-methyl-4,5,6,7-tetrahydroindazol-4-yl]propanamide.
What is the SMILES notation for (2R)-2-(3,4-difluorophenoxy)-N-[(4R)-2-methyl-4,5,6,7-tetrahydroindazol-4-yl]propanamide?
The canonical SMILES for (2R)-2-(3,4-difluorophenoxy)-N-[(4R)-2-methyl-4,5,6,7-tetrahydroindazol-4-yl]propanamide is C[C@@H](Oc1ccc(F)c(F)c1)C(=O)N[C@@H]1CCCc2nn(C)cc21.
What is the InChIKey of (2R)-2-(3,4-difluorophenoxy)-N-[(4R)-2-methyl-4,5,6,7-tetrahydroindazol-4-yl]propanamide?
The InChIKey is CNENNESLNKCONY-MEBBXXQBSA-N. The full InChI is InChI=1S/C17H19F2N3O2/c1-10(24-11-6-7-13(18)14(19)8-11)17(23)20-15-4-3-5-16-12(15)9-22(2)21-16/h6-10,15H,3-5H2,1-2H3,(H,20,23)/t10-,15-/m1/s1.
What are the key properties of (2R)-2-(3,4-difluorophenoxy)-N-[(4R)-2-methyl-4,5,6,7-tetrahydroindazol-4-yl]propanamide?
(2R)-2-(3,4-difluorophenoxy)-N-[(4R)-2-methyl-4,5,6,7-tetrahydroindazol-4-yl]propanamide has a molecular weight of 335.35 g/mol, XLogP of 2.66, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(3,4-difluorophenoxy)-N-[(4R)-2-methyl-4,5,6,7-tetrahydroindazol-4-yl]propanamide is sourced from PubChem (CID 100746402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).