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

C24H27N3O3 — CID 175435829

IUPAC1-[4-(3-acetylphenyl)-7-methoxyindazol-2-yl]-N-(2-methylpropyl)cyclopropane-1-carboxamide
SMILESCOc1ccc(-c2cccc(C(C)=O)c2)c2cn(C3(C(=O)NCC(C)C)CC3)nc12
InChIInChI=1S/C24H27N3O3/c1-15(2)13-25-23(29)24(10-11-24)27-14-20-19(8-9-21(30-4)22(20)26-27)18-7-5-6-17(12-18)16(3)28/h5-9,12,14-15H,10-11,13H2,1-4H3,(H,25,29)
InChIKeyUQHCFJNFVHFCCU-UHFFFAOYSA-N
MW405.50 g/mol
LogP4.18
Rot. Bonds7

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

1-[4-(3-acetylphenyl)-7-methoxyindazol-2-yl]-N-(2-methylpropyl)cyclopropane-1-carboxamide (PubChem CID 175435829) has the molecular formula C24H27N3O3 and a molecular weight of 405.50 g/mol. Its IUPAC name is 1-[4-(3-acetylphenyl)-7-methoxyindazol-2-yl]-N-(2-methylpropyl)cyclopropane-1-carboxamide.

Molecular Properties

Compound Name1-[4-(3-acetylphenyl)-7-methoxyindazol-2-yl]-N-(2-methylpropyl)cyclopropane-1-carboxamide
PubChem CID175435829
Molecular FormulaC24H27N3O3
Molecular Weight405.50 g/mol
Exact Mass405.21
IUPAC Name1-[4-(3-acetylphenyl)-7-methoxyindazol-2-yl]-N-(2-methylpropyl)cyclopropane-1-carboxamide
SMILESCOc1ccc(-c2cccc(C(C)=O)c2)c2cn(C3(C(=O)NCC(C)C)CC3)nc12
InChIInChI=1S/C24H27N3O3/c1-15(2)13-25-23(29)24(10-11-24)27-14-20-19(8-9-21(30-4)22(20)26-27)18-7-5-6-17(12-18)16(3)28/h5-9,12,14-15H,10-11,13H2,1-4H3,(H,25,29)
InChIKeyUQHCFJNFVHFCCU-UHFFFAOYSA-N
XLogP4.18
TPSA73.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.50
LogP ≤ 54.18
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-(2-methylpropyl)cyclopropane-1-carboxamide?
The IUPAC name of 1-[4-(3-acetylphenyl)-7-methoxyindazol-2-yl]-N-(2-methylpropyl)cyclopropane-1-carboxamide (CID 175435829) is 1-[4-(3-acetylphenyl)-7-methoxyindazol-2-yl]-N-(2-methylpropyl)cyclopropane-1-carboxamide.
What is the SMILES notation for 1-[4-(3-acetylphenyl)-7-methoxyindazol-2-yl]-N-(2-methylpropyl)cyclopropane-1-carboxamide?
The canonical SMILES for 1-[4-(3-acetylphenyl)-7-methoxyindazol-2-yl]-N-(2-methylpropyl)cyclopropane-1-carboxamide is COc1ccc(-c2cccc(C(C)=O)c2)c2cn(C3(C(=O)NCC(C)C)CC3)nc12.
What is the InChIKey of 1-[4-(3-acetylphenyl)-7-methoxyindazol-2-yl]-N-(2-methylpropyl)cyclopropane-1-carboxamide?
The InChIKey is UQHCFJNFVHFCCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N3O3/c1-15(2)13-25-23(29)24(10-11-24)27-14-20-19(8-9-21(30-4)22(20)26-27)18-7-5-6-17(12-18)16(3)28/h5-9,12,14-15H,10-11,13H2,1-4H3,(H,25,29).
What are the key properties of 1-[4-(3-acetylphenyl)-7-methoxyindazol-2-yl]-N-(2-methylpropyl)cyclopropane-1-carboxamide?
1-[4-(3-acetylphenyl)-7-methoxyindazol-2-yl]-N-(2-methylpropyl)cyclopropane-1-carboxamide has a molecular weight of 405.50 g/mol, XLogP of 4.18, 7 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-(2-methylpropyl)cyclopropane-1-carboxamide is sourced from PubChem (CID 175435829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).