1-[4-(3-acetylphenyl)-7-methoxyindazol-2-yl]-N-cyclopentylcyclopropane-1-carboxamide

C25H27N3O3 — CID 175435817

IUPAC1-[4-(3-acetylphenyl)-7-methoxyindazol-2-yl]-N-cyclopentylcyclopropane-1-carboxamide
SMILESCOc1ccc(-c2cccc(C(C)=O)c2)c2cn(C3(C(=O)NC4CCCC4)CC3)nc12
InChIInChI=1S/C25H27N3O3/c1-16(29)17-6-5-7-18(14-17)20-10-11-22(31-2)23-21(20)15-28(27-23)25(12-13-25)24(30)26-19-8-3-4-9-19/h5-7,10-11,14-15,19H,3-4,8-9,12-13H2,1-2H3,(H,26,30)
InChIKeyCZRMKUJWHNYQTH-UHFFFAOYSA-N
MW417.51 g/mol
LogP4.46
Rot. Bonds6

About 1-[4-(3-acetylphenyl)-7-methoxyindazol-2-yl]-N-cyclopentylcyclopropane-1-carboxamide

1-[4-(3-acetylphenyl)-7-methoxyindazol-2-yl]-N-cyclopentylcyclopropane-1-carboxamide (PubChem CID 175435817) has the molecular formula C25H27N3O3 and a molecular weight of 417.51 g/mol. Its IUPAC name is 1-[4-(3-acetylphenyl)-7-methoxyindazol-2-yl]-N-cyclopentylcyclopropane-1-carboxamide.

Molecular Properties

Compound Name1-[4-(3-acetylphenyl)-7-methoxyindazol-2-yl]-N-cyclopentylcyclopropane-1-carboxamide
PubChem CID175435817
Molecular FormulaC25H27N3O3
Molecular Weight417.51 g/mol
Exact Mass417.21
IUPAC Name1-[4-(3-acetylphenyl)-7-methoxyindazol-2-yl]-N-cyclopentylcyclopropane-1-carboxamide
SMILESCOc1ccc(-c2cccc(C(C)=O)c2)c2cn(C3(C(=O)NC4CCCC4)CC3)nc12
InChIInChI=1S/C25H27N3O3/c1-16(29)17-6-5-7-18(14-17)20-10-11-22(31-2)23-21(20)15-28(27-23)25(12-13-25)24(30)26-19-8-3-4-9-19/h5-7,10-11,14-15,19H,3-4,8-9,12-13H2,1-2H3,(H,26,30)
InChIKeyCZRMKUJWHNYQTH-UHFFFAOYSA-N
XLogP4.46
TPSA73.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.51
LogP ≤ 54.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(3-acetylphenyl)-7-methoxyindazol-2-yl]-N-cyclopentylcyclopropane-1-carboxamide?
The IUPAC name of 1-[4-(3-acetylphenyl)-7-methoxyindazol-2-yl]-N-cyclopentylcyclopropane-1-carboxamide (CID 175435817) is 1-[4-(3-acetylphenyl)-7-methoxyindazol-2-yl]-N-cyclopentylcyclopropane-1-carboxamide.
What is the SMILES notation for 1-[4-(3-acetylphenyl)-7-methoxyindazol-2-yl]-N-cyclopentylcyclopropane-1-carboxamide?
The canonical SMILES for 1-[4-(3-acetylphenyl)-7-methoxyindazol-2-yl]-N-cyclopentylcyclopropane-1-carboxamide is COc1ccc(-c2cccc(C(C)=O)c2)c2cn(C3(C(=O)NC4CCCC4)CC3)nc12.
What is the InChIKey of 1-[4-(3-acetylphenyl)-7-methoxyindazol-2-yl]-N-cyclopentylcyclopropane-1-carboxamide?
The InChIKey is CZRMKUJWHNYQTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27N3O3/c1-16(29)17-6-5-7-18(14-17)20-10-11-22(31-2)23-21(20)15-28(27-23)25(12-13-25)24(30)26-19-8-3-4-9-19/h5-7,10-11,14-15,19H,3-4,8-9,12-13H2,1-2H3,(H,26,30).
What are the key properties of 1-[4-(3-acetylphenyl)-7-methoxyindazol-2-yl]-N-cyclopentylcyclopropane-1-carboxamide?
1-[4-(3-acetylphenyl)-7-methoxyindazol-2-yl]-N-cyclopentylcyclopropane-1-carboxamide has a molecular weight of 417.51 g/mol, XLogP of 4.46, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(3-acetylphenyl)-7-methoxyindazol-2-yl]-N-cyclopentylcyclopropane-1-carboxamide is sourced from PubChem (CID 175435817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).