N-[(4S)-1-tert-butyl-4,5,6,7-tetrahydroindazol-4-yl]-2-(3-fluoro-4-methoxyphenyl)acetamide

C20H26FN3O2 — CID 52514919

IUPACN-[(4S)-1-tert-butyl-4,5,6,7-tetrahydroindazol-4-yl]-2-(3-fluoro-4-methoxyphenyl)acetamide
SMILESCOc1ccc(CC(=O)N[C@H]2CCCc3c2cnn3C(C)(C)C)cc1F
InChIInChI=1S/C20H26FN3O2/c1-20(2,3)24-17-7-5-6-16(14(17)12-22-24)23-19(25)11-13-8-9-18(26-4)15(21)10-13/h8-10,12,16H,5-7,11H2,1-4H3,(H,23,25)/t16-/m0/s1
InChIKeyGSNFCASQRWEALT-INIZCTEOSA-N
MW359.45 g/mol
LogP3.52
Rot. Bonds4

About N-[(4S)-1-tert-butyl-4,5,6,7-tetrahydroindazol-4-yl]-2-(3-fluoro-4-methoxyphenyl)acetamide

N-[(4S)-1-tert-butyl-4,5,6,7-tetrahydroindazol-4-yl]-2-(3-fluoro-4-methoxyphenyl)acetamide (PubChem CID 52514919) has the molecular formula C20H26FN3O2 and a molecular weight of 359.45 g/mol. Its IUPAC name is N-[(4S)-1-tert-butyl-4,5,6,7-tetrahydroindazol-4-yl]-2-(3-fluoro-4-methoxyphenyl)acetamide.

Molecular Properties

Compound NameN-[(4S)-1-tert-butyl-4,5,6,7-tetrahydroindazol-4-yl]-2-(3-fluoro-4-methoxyphenyl)acetamide
PubChem CID52514919
Molecular FormulaC20H26FN3O2
Molecular Weight359.45 g/mol
Exact Mass359.20
IUPAC NameN-[(4S)-1-tert-butyl-4,5,6,7-tetrahydroindazol-4-yl]-2-(3-fluoro-4-methoxyphenyl)acetamide
SMILESCOc1ccc(CC(=O)N[C@H]2CCCc3c2cnn3C(C)(C)C)cc1F
InChIInChI=1S/C20H26FN3O2/c1-20(2,3)24-17-7-5-6-16(14(17)12-22-24)23-19(25)11-13-8-9-18(26-4)15(21)10-13/h8-10,12,16H,5-7,11H2,1-4H3,(H,23,25)/t16-/m0/s1
InChIKeyGSNFCASQRWEALT-INIZCTEOSA-N
XLogP3.52
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.45
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(3,4-dimethoxyphenyl)-N-[(4R)-1-methyl-4,5,6,7-tetrahydroindazol-4-yl]acetamide
CID 94080097
N-[(4R)-1-(2,4-difluorophenyl)-4,5,6,7-tetrahydroindazol-4-yl]-2-(3,4-dimethoxyphenyl)acetamide
CID 42094250
N-[(4S)-1-tert-butyl-4,5,6,7-tetrahydroindazol-4-yl]-2-[cyclohexyl(methyl)amino]acetamide
CID 94380801
N-(1-tert-butyl-4,5,6,7-tetrahydroindazol-4-yl)-2-(3,5-dimethylpyrazol-1-yl)acetamide
CID 56731356
2-[acetyl(methyl)amino]-N-[(4R)-1-tert-butyl-4,5,6,7-tetrahydroindazol-4-yl]acetamide
CID 94669068
2-[acetyl(methyl)amino]-N-[(4S)-1-tert-butyl-4,5,6,7-tetrahydroindazol-4-yl]acetamide
CID 94669069
3-(3,4-dimethoxyphenyl)-N-[(4S)-1-(2-fluorophenyl)-4,5,6,7-tetrahydroindazol-4-yl]propanamide
CID 26326251
N-[(4S)-1-tert-butyl-4,5,6,7-tetrahydroindazol-4-yl]-2-(3-methylpyrazol-1-yl)acetamide
CID 95384960
N-[(4S)-1-tert-butyl-4,5,6,7-tetrahydroindazol-4-yl]-2-[(2R)-2-methylpiperidin-1-yl]acetamide
CID 124742117
N-(4-aminocyclohexyl)-2-(3-fluoro-4-methoxyphenyl)acetamide
CID 119474491
4-[[[(4S)-1-tert-butyl-4,5,6,7-tetrahydroindazol-4-yl]amino]methyl]benzamide
CID 95762906
N-[(4R)-1-tert-butyl-4,5,6,7-tetrahydroindazol-4-yl]-2-(3,4-dihydro-2H-quinolin-1-yl)acetamide
CID 94379747

Frequently Asked Questions

What is the IUPAC name of N-[(4S)-1-tert-butyl-4,5,6,7-tetrahydroindazol-4-yl]-2-(3-fluoro-4-methoxyphenyl)acetamide?
The IUPAC name of N-[(4S)-1-tert-butyl-4,5,6,7-tetrahydroindazol-4-yl]-2-(3-fluoro-4-methoxyphenyl)acetamide (CID 52514919) is N-[(4S)-1-tert-butyl-4,5,6,7-tetrahydroindazol-4-yl]-2-(3-fluoro-4-methoxyphenyl)acetamide.
What is the SMILES notation for N-[(4S)-1-tert-butyl-4,5,6,7-tetrahydroindazol-4-yl]-2-(3-fluoro-4-methoxyphenyl)acetamide?
The canonical SMILES for N-[(4S)-1-tert-butyl-4,5,6,7-tetrahydroindazol-4-yl]-2-(3-fluoro-4-methoxyphenyl)acetamide is COc1ccc(CC(=O)N[C@H]2CCCc3c2cnn3C(C)(C)C)cc1F.
What is the InChIKey of N-[(4S)-1-tert-butyl-4,5,6,7-tetrahydroindazol-4-yl]-2-(3-fluoro-4-methoxyphenyl)acetamide?
The InChIKey is GSNFCASQRWEALT-INIZCTEOSA-N. The full InChI is InChI=1S/C20H26FN3O2/c1-20(2,3)24-17-7-5-6-16(14(17)12-22-24)23-19(25)11-13-8-9-18(26-4)15(21)10-13/h8-10,12,16H,5-7,11H2,1-4H3,(H,23,25)/t16-/m0/s1.
What are the key properties of N-[(4S)-1-tert-butyl-4,5,6,7-tetrahydroindazol-4-yl]-2-(3-fluoro-4-methoxyphenyl)acetamide?
N-[(4S)-1-tert-butyl-4,5,6,7-tetrahydroindazol-4-yl]-2-(3-fluoro-4-methoxyphenyl)acetamide has a molecular weight of 359.45 g/mol, XLogP of 3.52, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4S)-1-tert-butyl-4,5,6,7-tetrahydroindazol-4-yl]-2-(3-fluoro-4-methoxyphenyl)acetamide is sourced from PubChem (CID 52514919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).