N-[6-(2-methoxy-5-propan-2-ylphenyl)-1H-indazol-3-yl]-3-phenylpropanamide

C26H27N3O2 — CID 69065644

IUPACN-[6-(2-methoxy-5-propan-2-ylphenyl)-1H-indazol-3-yl]-3-phenylpropanamide
SMILESCOc1ccc(C(C)C)cc1-c1ccc2c(NC(=O)CCc3ccccc3)n[nH]c2c1
InChIInChI=1S/C26H27N3O2/c1-17(2)19-11-13-24(31-3)22(15-19)20-10-12-21-23(16-20)28-29-26(21)27-25(30)14-9-18-7-5-4-6-8-18/h4-8,10-13,15-17H,9,14H2,1-3H3,(H2,27,28,29,30)
InChIKeyYVQACBPLGPWRDW-UHFFFAOYSA-N
MW413.52 g/mol
LogP5.93
Rot. Bonds7

About N-[6-(2-methoxy-5-propan-2-ylphenyl)-1H-indazol-3-yl]-3-phenylpropanamide

N-[6-(2-methoxy-5-propan-2-ylphenyl)-1H-indazol-3-yl]-3-phenylpropanamide (PubChem CID 69065644) has the molecular formula C26H27N3O2 and a molecular weight of 413.52 g/mol. Its IUPAC name is N-[6-(2-methoxy-5-propan-2-ylphenyl)-1H-indazol-3-yl]-3-phenylpropanamide.

Molecular Properties

Compound NameN-[6-(2-methoxy-5-propan-2-ylphenyl)-1H-indazol-3-yl]-3-phenylpropanamide
PubChem CID69065644
Molecular FormulaC26H27N3O2
Molecular Weight413.52 g/mol
Exact Mass413.21
IUPAC NameN-[6-(2-methoxy-5-propan-2-ylphenyl)-1H-indazol-3-yl]-3-phenylpropanamide
SMILESCOc1ccc(C(C)C)cc1-c1ccc2c(NC(=O)CCc3ccccc3)n[nH]c2c1
InChIInChI=1S/C26H27N3O2/c1-17(2)19-11-13-24(31-3)22(15-19)20-10-12-21-23(16-20)28-29-26(21)27-25(30)14-9-18-7-5-4-6-8-18/h4-8,10-13,15-17H,9,14H2,1-3H3,(H2,27,28,29,30)
InChIKeyYVQACBPLGPWRDW-UHFFFAOYSA-N
XLogP5.93
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500413.52
LogP ≤ 55.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-methoxy-N-[6-(2-methoxy-5-propan-2-ylphenyl)-1H-indazol-3-yl]acetamide
CID 69062660
N-[6-(2-methoxy-5-propan-2-ylphenyl)-1H-indazol-3-yl]-2-thiophen-2-ylacetamide
CID 69065496
N-[6-(5-fluoro-2-methoxyphenyl)-1H-indazol-3-yl]-2-phenylmethoxyacetamide
CID 69064500
1-[6-(2-methoxyphenyl)-1H-indazol-3-yl]-3-(3-phenylpropyl)urea
CID 69061205
N-[6-(5-fluoro-2-methoxyphenyl)-1H-indazol-3-yl]-2-phenoxypropanamide
CID 69070154
[2-[[6-(5-fluoro-2-methoxyphenyl)-1H-indazol-3-yl]amino]-2-oxoethyl] acetate
CID 69069713
3-cyclopentyl-N-[6-(5-fluoro-2-methoxyphenyl)-1H-indazol-3-yl]propanamide
CID 69064491
[2-[[6-(5-fluoro-2-methoxyphenyl)-1H-indazol-3-yl]amino]-2-oxo-1-phenylethyl] acetate
CID 69070303
1-[6-(4-methoxyphenyl)-1H-indazol-3-yl]-3-(3-phenylpropyl)urea
CID 69067411
2-(3,4-dimethoxyphenyl)-N-(1H-indazol-3-yl)acetamide
CID 155530819
4-[3-(1H-indazol-3-ylamino)-3-oxopropyl]benzoic acid
CID 154781594
N-[6-(2,5-dimethoxyphenyl)-1H-indazol-3-yl]-3-fluorobenzamide
CID 69064975

Frequently Asked Questions

What is the IUPAC name of N-[6-(2-methoxy-5-propan-2-ylphenyl)-1H-indazol-3-yl]-3-phenylpropanamide?
The IUPAC name of N-[6-(2-methoxy-5-propan-2-ylphenyl)-1H-indazol-3-yl]-3-phenylpropanamide (CID 69065644) is N-[6-(2-methoxy-5-propan-2-ylphenyl)-1H-indazol-3-yl]-3-phenylpropanamide.
What is the SMILES notation for N-[6-(2-methoxy-5-propan-2-ylphenyl)-1H-indazol-3-yl]-3-phenylpropanamide?
The canonical SMILES for N-[6-(2-methoxy-5-propan-2-ylphenyl)-1H-indazol-3-yl]-3-phenylpropanamide is COc1ccc(C(C)C)cc1-c1ccc2c(NC(=O)CCc3ccccc3)n[nH]c2c1.
What is the InChIKey of N-[6-(2-methoxy-5-propan-2-ylphenyl)-1H-indazol-3-yl]-3-phenylpropanamide?
The InChIKey is YVQACBPLGPWRDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27N3O2/c1-17(2)19-11-13-24(31-3)22(15-19)20-10-12-21-23(16-20)28-29-26(21)27-25(30)14-9-18-7-5-4-6-8-18/h4-8,10-13,15-17H,9,14H2,1-3H3,(H2,27,28,29,30).
What are the key properties of N-[6-(2-methoxy-5-propan-2-ylphenyl)-1H-indazol-3-yl]-3-phenylpropanamide?
N-[6-(2-methoxy-5-propan-2-ylphenyl)-1H-indazol-3-yl]-3-phenylpropanamide has a molecular weight of 413.52 g/mol, XLogP of 5.93, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(2-methoxy-5-propan-2-ylphenyl)-1H-indazol-3-yl]-3-phenylpropanamide is sourced from PubChem (CID 69065644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).