3-(2-chlorophenyl)-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-1-propan-2-ylindazole-6-carboxamide

C21H20ClN5O2 — CID 70852914

IUPAC3-(2-chlorophenyl)-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-1-propan-2-ylindazole-6-carboxamide
SMILESCc1noc(CNC(=O)c2ccc3c(-c4ccccc4Cl)nn(C(C)C)c3c2)n1
InChIInChI=1S/C21H20ClN5O2/c1-12(2)27-18-10-14(21(28)23-11-19-24-13(3)26-29-19)8-9-16(18)20(25-27)15-6-4-5-7-17(15)22/h4-10,12H,11H2,1-3H3,(H,23,28)
InChIKeyPKCYBPAQSCQJHG-UHFFFAOYSA-N
MW409.88 g/mol
LogP4.56
Rot. Bonds5

About 3-(2-chlorophenyl)-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-1-propan-2-ylindazole-6-carboxamide

3-(2-chlorophenyl)-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-1-propan-2-ylindazole-6-carboxamide (PubChem CID 70852914) has the molecular formula C21H20ClN5O2 and a molecular weight of 409.88 g/mol. Its IUPAC name is 3-(2-chlorophenyl)-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-1-propan-2-ylindazole-6-carboxamide.

Molecular Properties

Compound Name3-(2-chlorophenyl)-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-1-propan-2-ylindazole-6-carboxamide
PubChem CID70852914
Molecular FormulaC21H20ClN5O2
Molecular Weight409.88 g/mol
Exact Mass409.13
IUPAC Name3-(2-chlorophenyl)-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-1-propan-2-ylindazole-6-carboxamide
SMILESCc1noc(CNC(=O)c2ccc3c(-c4ccccc4Cl)nn(C(C)C)c3c2)n1
InChIInChI=1S/C21H20ClN5O2/c1-12(2)27-18-10-14(21(28)23-11-19-24-13(3)26-29-19)8-9-16(18)20(25-27)15-6-4-5-7-17(15)22/h4-10,12H,11H2,1-3H3,(H,23,28)
InChIKeyPKCYBPAQSCQJHG-UHFFFAOYSA-N
XLogP4.56
TPSA85.84 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.88
LogP ≤ 54.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-(2-chlorophenyl)-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-1-propan-2-ylindazole-6-carboxamide?
The IUPAC name of 3-(2-chlorophenyl)-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-1-propan-2-ylindazole-6-carboxamide (CID 70852914) is 3-(2-chlorophenyl)-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-1-propan-2-ylindazole-6-carboxamide.
What is the SMILES notation for 3-(2-chlorophenyl)-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-1-propan-2-ylindazole-6-carboxamide?
The canonical SMILES for 3-(2-chlorophenyl)-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-1-propan-2-ylindazole-6-carboxamide is Cc1noc(CNC(=O)c2ccc3c(-c4ccccc4Cl)nn(C(C)C)c3c2)n1.
What is the InChIKey of 3-(2-chlorophenyl)-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-1-propan-2-ylindazole-6-carboxamide?
The InChIKey is PKCYBPAQSCQJHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20ClN5O2/c1-12(2)27-18-10-14(21(28)23-11-19-24-13(3)26-29-19)8-9-16(18)20(25-27)15-6-4-5-7-17(15)22/h4-10,12H,11H2,1-3H3,(H,23,28).
What are the key properties of 3-(2-chlorophenyl)-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-1-propan-2-ylindazole-6-carboxamide?
3-(2-chlorophenyl)-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-1-propan-2-ylindazole-6-carboxamide has a molecular weight of 409.88 g/mol, XLogP of 4.56, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-chlorophenyl)-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-1-propan-2-ylindazole-6-carboxamide is sourced from PubChem (CID 70852914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).