N-[(4-cyanophenyl)methyl]-1-methyl-5-[2-(3-methyl-1,2,4-oxadiazol-5-yl)-1H-indol-5-yl]pyrazole-3-carboxamide

C24H19N7O2 — CID 135887197

IUPACN-[(4-cyanophenyl)methyl]-1-methyl-5-[2-(3-methyl-1,2,4-oxadiazol-5-yl)-1H-indol-5-yl]pyrazole-3-carboxamide
SMILESCc1noc(-c2cc3cc(-c4cc(C(=O)NCc5ccc(C#N)cc5)nn4C)ccc3[nH]2)n1
InChIInChI=1S/C24H19N7O2/c1-14-27-24(33-30-14)21-10-18-9-17(7-8-19(18)28-21)22-11-20(29-31(22)2)23(32)26-13-16-5-3-15(12-25)4-6-16/h3-11,28H,13H2,1-2H3,(H,26,32)
InChIKeyMHSBTTHKZMQJCP-UHFFFAOYSA-N
MW437.46 g/mol
LogP3.73
Rot. Bonds5

About N-[(4-cyanophenyl)methyl]-1-methyl-5-[2-(3-methyl-1,2,4-oxadiazol-5-yl)-1H-indol-5-yl]pyrazole-3-carboxamide

N-[(4-cyanophenyl)methyl]-1-methyl-5-[2-(3-methyl-1,2,4-oxadiazol-5-yl)-1H-indol-5-yl]pyrazole-3-carboxamide (PubChem CID 135887197) has the molecular formula C24H19N7O2 and a molecular weight of 437.46 g/mol. Its IUPAC name is N-[(4-cyanophenyl)methyl]-1-methyl-5-[2-(3-methyl-1,2,4-oxadiazol-5-yl)-1H-indol-5-yl]pyrazole-3-carboxamide.

Molecular Properties

Compound NameN-[(4-cyanophenyl)methyl]-1-methyl-5-[2-(3-methyl-1,2,4-oxadiazol-5-yl)-1H-indol-5-yl]pyrazole-3-carboxamide
PubChem CID135887197
Molecular FormulaC24H19N7O2
Molecular Weight437.46 g/mol
Exact Mass437.16
IUPAC NameN-[(4-cyanophenyl)methyl]-1-methyl-5-[2-(3-methyl-1,2,4-oxadiazol-5-yl)-1H-indol-5-yl]pyrazole-3-carboxamide
SMILESCc1noc(-c2cc3cc(-c4cc(C(=O)NCc5ccc(C#N)cc5)nn4C)ccc3[nH]2)n1
InChIInChI=1S/C24H19N7O2/c1-14-27-24(33-30-14)21-10-18-9-17(7-8-19(18)28-21)22-11-20(29-31(22)2)23(32)26-13-16-5-3-15(12-25)4-6-16/h3-11,28H,13H2,1-2H3,(H,26,32)
InChIKeyMHSBTTHKZMQJCP-UHFFFAOYSA-N
XLogP3.73
TPSA125.42 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.46
LogP ≤ 53.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[(4-cyanophenyl)methyl]-1-methyl-5-[2-(3-methyl-1,2,4-oxadiazol-5-yl)-1H-indol-5-yl]pyrazole-3-carboxamide?
The IUPAC name of N-[(4-cyanophenyl)methyl]-1-methyl-5-[2-(3-methyl-1,2,4-oxadiazol-5-yl)-1H-indol-5-yl]pyrazole-3-carboxamide (CID 135887197) is N-[(4-cyanophenyl)methyl]-1-methyl-5-[2-(3-methyl-1,2,4-oxadiazol-5-yl)-1H-indol-5-yl]pyrazole-3-carboxamide.
What is the SMILES notation for N-[(4-cyanophenyl)methyl]-1-methyl-5-[2-(3-methyl-1,2,4-oxadiazol-5-yl)-1H-indol-5-yl]pyrazole-3-carboxamide?
The canonical SMILES for N-[(4-cyanophenyl)methyl]-1-methyl-5-[2-(3-methyl-1,2,4-oxadiazol-5-yl)-1H-indol-5-yl]pyrazole-3-carboxamide is Cc1noc(-c2cc3cc(-c4cc(C(=O)NCc5ccc(C#N)cc5)nn4C)ccc3[nH]2)n1.
What is the InChIKey of N-[(4-cyanophenyl)methyl]-1-methyl-5-[2-(3-methyl-1,2,4-oxadiazol-5-yl)-1H-indol-5-yl]pyrazole-3-carboxamide?
The InChIKey is MHSBTTHKZMQJCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19N7O2/c1-14-27-24(33-30-14)21-10-18-9-17(7-8-19(18)28-21)22-11-20(29-31(22)2)23(32)26-13-16-5-3-15(12-25)4-6-16/h3-11,28H,13H2,1-2H3,(H,26,32).
What are the key properties of N-[(4-cyanophenyl)methyl]-1-methyl-5-[2-(3-methyl-1,2,4-oxadiazol-5-yl)-1H-indol-5-yl]pyrazole-3-carboxamide?
N-[(4-cyanophenyl)methyl]-1-methyl-5-[2-(3-methyl-1,2,4-oxadiazol-5-yl)-1H-indol-5-yl]pyrazole-3-carboxamide has a molecular weight of 437.46 g/mol, XLogP of 3.73, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-cyanophenyl)methyl]-1-methyl-5-[2-(3-methyl-1,2,4-oxadiazol-5-yl)-1H-indol-5-yl]pyrazole-3-carboxamide is sourced from PubChem (CID 135887197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).