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

C23H24N4O2 — CID 175435816

IUPAC1-[4-(3-cyanophenyl)-7-methoxyindazol-2-yl]-N-(2-methylpropyl)cyclopropane-1-carboxamide
SMILESCOc1ccc(-c2cccc(C#N)c2)c2cn(C3(C(=O)NCC(C)C)CC3)nc12
InChIInChI=1S/C23H24N4O2/c1-15(2)13-25-22(28)23(9-10-23)27-14-19-18(7-8-20(29-3)21(19)26-27)17-6-4-5-16(11-17)12-24/h4-8,11,14-15H,9-10,13H2,1-3H3,(H,25,28)
InChIKeyRJVNOIQPWFWWMT-UHFFFAOYSA-N
MW388.47 g/mol
LogP3.84
Rot. Bonds6

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

1-[4-(3-cyanophenyl)-7-methoxyindazol-2-yl]-N-(2-methylpropyl)cyclopropane-1-carboxamide (PubChem CID 175435816) has the molecular formula C23H24N4O2 and a molecular weight of 388.47 g/mol. Its IUPAC name is 1-[4-(3-cyanophenyl)-7-methoxyindazol-2-yl]-N-(2-methylpropyl)cyclopropane-1-carboxamide.

Molecular Properties

Compound Name1-[4-(3-cyanophenyl)-7-methoxyindazol-2-yl]-N-(2-methylpropyl)cyclopropane-1-carboxamide
PubChem CID175435816
Molecular FormulaC23H24N4O2
Molecular Weight388.47 g/mol
Exact Mass388.19
IUPAC Name1-[4-(3-cyanophenyl)-7-methoxyindazol-2-yl]-N-(2-methylpropyl)cyclopropane-1-carboxamide
SMILESCOc1ccc(-c2cccc(C#N)c2)c2cn(C3(C(=O)NCC(C)C)CC3)nc12
InChIInChI=1S/C23H24N4O2/c1-15(2)13-25-22(28)23(9-10-23)27-14-19-18(7-8-20(29-3)21(19)26-27)17-6-4-5-16(11-17)12-24/h4-8,11,14-15H,9-10,13H2,1-3H3,(H,25,28)
InChIKeyRJVNOIQPWFWWMT-UHFFFAOYSA-N
XLogP3.84
TPSA79.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.47
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(3-cyanophenyl)-7-methoxyindazol-2-yl]-N-(2-methylpropyl)cyclopropane-1-carboxamide?
The IUPAC name of 1-[4-(3-cyanophenyl)-7-methoxyindazol-2-yl]-N-(2-methylpropyl)cyclopropane-1-carboxamide (CID 175435816) is 1-[4-(3-cyanophenyl)-7-methoxyindazol-2-yl]-N-(2-methylpropyl)cyclopropane-1-carboxamide.
What is the SMILES notation for 1-[4-(3-cyanophenyl)-7-methoxyindazol-2-yl]-N-(2-methylpropyl)cyclopropane-1-carboxamide?
The canonical SMILES for 1-[4-(3-cyanophenyl)-7-methoxyindazol-2-yl]-N-(2-methylpropyl)cyclopropane-1-carboxamide is COc1ccc(-c2cccc(C#N)c2)c2cn(C3(C(=O)NCC(C)C)CC3)nc12.
What is the InChIKey of 1-[4-(3-cyanophenyl)-7-methoxyindazol-2-yl]-N-(2-methylpropyl)cyclopropane-1-carboxamide?
The InChIKey is RJVNOIQPWFWWMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N4O2/c1-15(2)13-25-22(28)23(9-10-23)27-14-19-18(7-8-20(29-3)21(19)26-27)17-6-4-5-16(11-17)12-24/h4-8,11,14-15H,9-10,13H2,1-3H3,(H,25,28).
What are the key properties of 1-[4-(3-cyanophenyl)-7-methoxyindazol-2-yl]-N-(2-methylpropyl)cyclopropane-1-carboxamide?
1-[4-(3-cyanophenyl)-7-methoxyindazol-2-yl]-N-(2-methylpropyl)cyclopropane-1-carboxamide has a molecular weight of 388.47 g/mol, XLogP of 3.84, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(3-cyanophenyl)-7-methoxyindazol-2-yl]-N-(2-methylpropyl)cyclopropane-1-carboxamide is sourced from PubChem (CID 175435816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).