2-propyl-N-[[1-(5,6,7,8-tetrahydronaphthalen-1-yl)indazol-5-yl]methyl]pentanamide

C26H33N3O — CID 45273586

IUPAC2-propyl-N-[[1-(5,6,7,8-tetrahydronaphthalen-1-yl)indazol-5-yl]methyl]pentanamide
SMILESCCCC(CCC)C(=O)NCc1ccc2c(cnn2-c2cccc3c2CCCC3)c1
InChIInChI=1S/C26H33N3O/c1-3-8-21(9-4-2)26(30)27-17-19-14-15-24-22(16-19)18-28-29(24)25-13-7-11-20-10-5-6-12-23(20)25/h7,11,13-16,18,21H,3-6,8-10,12,17H2,1-2H3,(H,27,30)
InChIKeyWLVDBLWXNWQIPT-UHFFFAOYSA-N
MW403.57 g/mol
LogP5.74
Rot. Bonds8

About 2-propyl-N-[[1-(5,6,7,8-tetrahydronaphthalen-1-yl)indazol-5-yl]methyl]pentanamide

2-propyl-N-[[1-(5,6,7,8-tetrahydronaphthalen-1-yl)indazol-5-yl]methyl]pentanamide (PubChem CID 45273586) has the molecular formula C26H33N3O and a molecular weight of 403.57 g/mol. Its IUPAC name is 2-propyl-N-[[1-(5,6,7,8-tetrahydronaphthalen-1-yl)indazol-5-yl]methyl]pentanamide.

Molecular Properties

Compound Name2-propyl-N-[[1-(5,6,7,8-tetrahydronaphthalen-1-yl)indazol-5-yl]methyl]pentanamide
PubChem CID45273586
Molecular FormulaC26H33N3O
Molecular Weight403.57 g/mol
Exact Mass403.26
IUPAC Name2-propyl-N-[[1-(5,6,7,8-tetrahydronaphthalen-1-yl)indazol-5-yl]methyl]pentanamide
SMILESCCCC(CCC)C(=O)NCc1ccc2c(cnn2-c2cccc3c2CCCC3)c1
InChIInChI=1S/C26H33N3O/c1-3-8-21(9-4-2)26(30)27-17-19-14-15-24-22(16-19)18-28-29(24)25-13-7-11-20-10-5-6-12-23(20)25/h7,11,13-16,18,21H,3-6,8-10,12,17H2,1-2H3,(H,27,30)
InChIKeyWLVDBLWXNWQIPT-UHFFFAOYSA-N
XLogP5.74
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500403.57
LogP ≤ 55.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(2-methyl-2,6,7,8-tetrahydrocyclopenta[e] indazol-8-yl)ethyl]propanamide
CID 25024912
N-[2-(2-methyl-2,6,7,8-tetrahydrocyclopenta[e]indazol-8-yl)ethyl]acetamide
CID 59145872
3,3,3-trifluoro-N-[(3S)-3-[1-(4-fluorophenyl)indazol-5-yl]-2,2-dimethyl-3-phenylpropyl]propanamide
CID 59251119
N-(2,4-dimethylphenyl)-4-methyl-1H-indazole-1-carboxamide
CID 16016793
2-(1H-indazol-1-yl)-N-mesitylacetamide
CID 20885360
2-(1H-indazol-1-yl)-N-(4-isopropylphenyl)acetamide
CID 20885372
4-(3-(3,5-bis(trifluoromethyl)phenyl)-1-(naphthalen-2-yl)-1H-pyrazol-5-yl)-N-(5-(diethylamino)pentan-2-yl)butanamide
CID 11563597
N-(5-(diethylamino)pentan-2-yl)-4-(1-(naphthalen-2-yl)-3-(3-(trifluoromethyl)phenyl)-1H-pyrazol-5-yl)butanamide
CID 11706775
1-[(3S)-3-[1-(4-fluorophenyl)indazol-5-yl]-2,2-dimethyl-3-phenylpropyl]-3-(2,2,2-trifluoroethyl)urea
CID 24936312
1-tert-butyl-3-[(3S)-3-[1-(4-fluorophenyl)indazol-5-yl]-2,2-dimethyl-3-phenylpropyl]urea
CID 24936313
2,2,2-trifluoro-N-[(3S)-3-[1-(4-fluorophenyl)indazol-5-yl]-2,2-dimethyl-3-phenylpropyl]acetamide
CID 24936446
Methsergide
CID 44347509

Frequently Asked Questions

What is the IUPAC name of 2-propyl-N-[[1-(5,6,7,8-tetrahydronaphthalen-1-yl)indazol-5-yl]methyl]pentanamide?
The IUPAC name of 2-propyl-N-[[1-(5,6,7,8-tetrahydronaphthalen-1-yl)indazol-5-yl]methyl]pentanamide (CID 45273586) is 2-propyl-N-[[1-(5,6,7,8-tetrahydronaphthalen-1-yl)indazol-5-yl]methyl]pentanamide.
What is the SMILES notation for 2-propyl-N-[[1-(5,6,7,8-tetrahydronaphthalen-1-yl)indazol-5-yl]methyl]pentanamide?
The canonical SMILES for 2-propyl-N-[[1-(5,6,7,8-tetrahydronaphthalen-1-yl)indazol-5-yl]methyl]pentanamide is CCCC(CCC)C(=O)NCc1ccc2c(cnn2-c2cccc3c2CCCC3)c1.
What is the InChIKey of 2-propyl-N-[[1-(5,6,7,8-tetrahydronaphthalen-1-yl)indazol-5-yl]methyl]pentanamide?
The InChIKey is WLVDBLWXNWQIPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H33N3O/c1-3-8-21(9-4-2)26(30)27-17-19-14-15-24-22(16-19)18-28-29(24)25-13-7-11-20-10-5-6-12-23(20)25/h7,11,13-16,18,21H,3-6,8-10,12,17H2,1-2H3,(H,27,30).
What are the key properties of 2-propyl-N-[[1-(5,6,7,8-tetrahydronaphthalen-1-yl)indazol-5-yl]methyl]pentanamide?
2-propyl-N-[[1-(5,6,7,8-tetrahydronaphthalen-1-yl)indazol-5-yl]methyl]pentanamide has a molecular weight of 403.57 g/mol, XLogP of 5.74, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-propyl-N-[[1-(5,6,7,8-tetrahydronaphthalen-1-yl)indazol-5-yl]methyl]pentanamide is sourced from PubChem (CID 45273586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).