N-[4-cyano-2-(2H-tetrazol-5-yl)phenyl]-1-methyl-7-(5-methylthiophen-2-yl)indole-2-carboxamide

C23H17N7OS — CID 67552696

IUPACN-[4-cyano-2-(2H-tetrazol-5-yl)phenyl]-1-methyl-7-(5-methylthiophen-2-yl)indole-2-carboxamide
SMILESCc1ccc(-c2cccc3cc(C(=O)Nc4ccc(C#N)cc4-c4nn[nH]n4)n(C)c23)s1
InChIInChI=1S/C23H17N7OS/c1-13-6-9-20(32-13)16-5-3-4-15-11-19(30(2)21(15)16)23(31)25-18-8-7-14(12-24)10-17(18)22-26-28-29-27-22/h3-11H,1-2H3,(H,25,31)(H,26,27,28,29)
InChIKeyHYCWVCOVHUGRDT-UHFFFAOYSA-N
MW439.50 g/mol
LogP4.52
Rot. Bonds4

About N-[4-cyano-2-(2H-tetrazol-5-yl)phenyl]-1-methyl-7-(5-methylthiophen-2-yl)indole-2-carboxamide

N-[4-cyano-2-(2H-tetrazol-5-yl)phenyl]-1-methyl-7-(5-methylthiophen-2-yl)indole-2-carboxamide (PubChem CID 67552696) has the molecular formula C23H17N7OS and a molecular weight of 439.50 g/mol. Its IUPAC name is N-[4-cyano-2-(2H-tetrazol-5-yl)phenyl]-1-methyl-7-(5-methylthiophen-2-yl)indole-2-carboxamide.

Molecular Properties

Compound NameN-[4-cyano-2-(2H-tetrazol-5-yl)phenyl]-1-methyl-7-(5-methylthiophen-2-yl)indole-2-carboxamide
PubChem CID67552696
Molecular FormulaC23H17N7OS
Molecular Weight439.50 g/mol
Exact Mass439.12
IUPAC NameN-[4-cyano-2-(2H-tetrazol-5-yl)phenyl]-1-methyl-7-(5-methylthiophen-2-yl)indole-2-carboxamide
SMILESCc1ccc(-c2cccc3cc(C(=O)Nc4ccc(C#N)cc4-c4nn[nH]n4)n(C)c23)s1
InChIInChI=1S/C23H17N7OS/c1-13-6-9-20(32-13)16-5-3-4-15-11-19(30(2)21(15)16)23(31)25-18-8-7-14(12-24)10-17(18)22-26-28-29-27-22/h3-11H,1-2H3,(H,25,31)(H,26,27,28,29)
InChIKeyHYCWVCOVHUGRDT-UHFFFAOYSA-N
XLogP4.52
TPSA112.28 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.50
LogP ≤ 54.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[4-cyano-2-(2H-tetrazol-5-yl)phenyl]-1-methyl-7-(5-methylthiophen-2-yl)indole-2-carboxamide?
The IUPAC name of N-[4-cyano-2-(2H-tetrazol-5-yl)phenyl]-1-methyl-7-(5-methylthiophen-2-yl)indole-2-carboxamide (CID 67552696) is N-[4-cyano-2-(2H-tetrazol-5-yl)phenyl]-1-methyl-7-(5-methylthiophen-2-yl)indole-2-carboxamide.
What is the SMILES notation for N-[4-cyano-2-(2H-tetrazol-5-yl)phenyl]-1-methyl-7-(5-methylthiophen-2-yl)indole-2-carboxamide?
The canonical SMILES for N-[4-cyano-2-(2H-tetrazol-5-yl)phenyl]-1-methyl-7-(5-methylthiophen-2-yl)indole-2-carboxamide is Cc1ccc(-c2cccc3cc(C(=O)Nc4ccc(C#N)cc4-c4nn[nH]n4)n(C)c23)s1.
What is the InChIKey of N-[4-cyano-2-(2H-tetrazol-5-yl)phenyl]-1-methyl-7-(5-methylthiophen-2-yl)indole-2-carboxamide?
The InChIKey is HYCWVCOVHUGRDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H17N7OS/c1-13-6-9-20(32-13)16-5-3-4-15-11-19(30(2)21(15)16)23(31)25-18-8-7-14(12-24)10-17(18)22-26-28-29-27-22/h3-11H,1-2H3,(H,25,31)(H,26,27,28,29).
What are the key properties of N-[4-cyano-2-(2H-tetrazol-5-yl)phenyl]-1-methyl-7-(5-methylthiophen-2-yl)indole-2-carboxamide?
N-[4-cyano-2-(2H-tetrazol-5-yl)phenyl]-1-methyl-7-(5-methylthiophen-2-yl)indole-2-carboxamide has a molecular weight of 439.50 g/mol, XLogP of 4.52, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-cyano-2-(2H-tetrazol-5-yl)phenyl]-1-methyl-7-(5-methylthiophen-2-yl)indole-2-carboxamide is sourced from PubChem (CID 67552696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).