N-[(4S)-1-(3,5-difluorophenyl)-4,5,6,7-tetrahydroindazol-4-yl]-2-hydroxybenzamide

C20H17F2N3O2 — CID 97140880

IUPACN-[(4S)-1-(3,5-difluorophenyl)-4,5,6,7-tetrahydroindazol-4-yl]-2-hydroxybenzamide
SMILESO=C(N[C@H]1CCCc2c1cnn2-c1cc(F)cc(F)c1)c1ccccc1O
InChIInChI=1S/C20H17F2N3O2/c21-12-8-13(22)10-14(9-12)25-18-6-3-5-17(16(18)11-23-25)24-20(27)15-4-1-2-7-19(15)26/h1-2,4,7-11,17,26H,3,5-6H2,(H,24,27)/t17-/m0/s1
InChIKeyVRKOGVTYLKCABE-KRWDZBQOSA-N
MW369.37 g/mol
LogP3.66
Rot. Bonds3

About N-[(4S)-1-(3,5-difluorophenyl)-4,5,6,7-tetrahydroindazol-4-yl]-2-hydroxybenzamide

N-[(4S)-1-(3,5-difluorophenyl)-4,5,6,7-tetrahydroindazol-4-yl]-2-hydroxybenzamide (PubChem CID 97140880) has the molecular formula C20H17F2N3O2 and a molecular weight of 369.37 g/mol. Its IUPAC name is N-[(4S)-1-(3,5-difluorophenyl)-4,5,6,7-tetrahydroindazol-4-yl]-2-hydroxybenzamide.

Molecular Properties

Compound NameN-[(4S)-1-(3,5-difluorophenyl)-4,5,6,7-tetrahydroindazol-4-yl]-2-hydroxybenzamide
PubChem CID97140880
Molecular FormulaC20H17F2N3O2
Molecular Weight369.37 g/mol
Exact Mass369.13
IUPAC NameN-[(4S)-1-(3,5-difluorophenyl)-4,5,6,7-tetrahydroindazol-4-yl]-2-hydroxybenzamide
SMILESO=C(N[C@H]1CCCc2c1cnn2-c1cc(F)cc(F)c1)c1ccccc1O
InChIInChI=1S/C20H17F2N3O2/c21-12-8-13(22)10-14(9-12)25-18-6-3-5-17(16(18)11-23-25)24-20(27)15-4-1-2-7-19(15)26/h1-2,4,7-11,17,26H,3,5-6H2,(H,24,27)/t17-/m0/s1
InChIKeyVRKOGVTYLKCABE-KRWDZBQOSA-N
XLogP3.66
TPSA67.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.37
LogP ≤ 53.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-[1-(3,5-difluorophenyl)-4,5,6,7-tetrahydroindazol-4-yl]-3-phenylurea
CID 72856967
N-[(4S)-1-(3,5-difluorophenyl)-4,5,6,7-tetrahydroindazol-4-yl]-2-hydroxyacetamide
CID 97125555
N-[1-(3,5-difluorophenyl)-4,5,6,7-tetrahydroindazol-4-yl]-2,2-dimethylpropanamide
CID 72864626
N-[(4R)-1-(3,5-difluorophenyl)-4,5,6,7-tetrahydroindazol-4-yl]-4-methylthiadiazole-5-carboxamide
CID 42245579
N-[(4S)-1-(3,5-difluorophenyl)-4,5,6,7-tetrahydroindazol-4-yl]-2-quinazolin-4-yloxyacetamide
CID 42567120
N-[(4R)-1-(3,5-difluorophenyl)-4,5,6,7-tetrahydroindazol-4-yl]-2-quinazolin-4-yloxyacetamide
CID 42567121
1-acetyl-N-[1-(3,5-difluorophenyl)-4,5,6,7-tetrahydroindazol-4-yl]piperidine-4-carboxamide
CID 24794165
N-[(4S)-1-(3,5-difluorophenyl)-4,5,6,7-tetrahydroindazol-4-yl]-6-methoxyhexanamide
CID 97132643
N-(1-phenyl-4,5,6,7-tetrahydroindazol-4-yl)cyclopropanecarboxamide
CID 166631798
N-[1-(2-fluorophenyl)-4,5,6,7-tetrahydroindazol-4-yl]-2-morpholin-4-ylbenzamide
CID 24819235
N-[(4R)-1-(3,4-dimethylphenyl)-4,5,6,7-tetrahydroindazol-4-yl]-3-hydroxypyridine-2-carboxamide
CID 97134645
N-[1-(3,5-difluorophenyl)-4,5,6,7-tetrahydroindazol-4-yl]-2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide
CID 24791231

Frequently Asked Questions

What is the IUPAC name of N-[(4S)-1-(3,5-difluorophenyl)-4,5,6,7-tetrahydroindazol-4-yl]-2-hydroxybenzamide?
The IUPAC name of N-[(4S)-1-(3,5-difluorophenyl)-4,5,6,7-tetrahydroindazol-4-yl]-2-hydroxybenzamide (CID 97140880) is N-[(4S)-1-(3,5-difluorophenyl)-4,5,6,7-tetrahydroindazol-4-yl]-2-hydroxybenzamide.
What is the SMILES notation for N-[(4S)-1-(3,5-difluorophenyl)-4,5,6,7-tetrahydroindazol-4-yl]-2-hydroxybenzamide?
The canonical SMILES for N-[(4S)-1-(3,5-difluorophenyl)-4,5,6,7-tetrahydroindazol-4-yl]-2-hydroxybenzamide is O=C(N[C@H]1CCCc2c1cnn2-c1cc(F)cc(F)c1)c1ccccc1O.
What is the InChIKey of N-[(4S)-1-(3,5-difluorophenyl)-4,5,6,7-tetrahydroindazol-4-yl]-2-hydroxybenzamide?
The InChIKey is VRKOGVTYLKCABE-KRWDZBQOSA-N. The full InChI is InChI=1S/C20H17F2N3O2/c21-12-8-13(22)10-14(9-12)25-18-6-3-5-17(16(18)11-23-25)24-20(27)15-4-1-2-7-19(15)26/h1-2,4,7-11,17,26H,3,5-6H2,(H,24,27)/t17-/m0/s1.
What are the key properties of N-[(4S)-1-(3,5-difluorophenyl)-4,5,6,7-tetrahydroindazol-4-yl]-2-hydroxybenzamide?
N-[(4S)-1-(3,5-difluorophenyl)-4,5,6,7-tetrahydroindazol-4-yl]-2-hydroxybenzamide has a molecular weight of 369.37 g/mol, XLogP of 3.66, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4S)-1-(3,5-difluorophenyl)-4,5,6,7-tetrahydroindazol-4-yl]-2-hydroxybenzamide is sourced from PubChem (CID 97140880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).