N-[(2-cyano-4-pyridinyl)methyl]-5-methyl-4-[2-(3-methyl-1,2,4-oxadiazol-5-yl)-1H-indol-5-yl]-1H-imidazole-2-carboxamide

C23H18N8O2 — CID 135887134

IUPACN-[(2-cyano-4-pyridinyl)methyl]-5-methyl-4-[2-(3-methyl-1,2,4-oxadiazol-5-yl)-1H-indol-5-yl]-1H-imidazole-2-carboxamide
SMILESCc1noc(-c2cc3cc(-c4nc(C(=O)NCc5ccnc(C#N)c5)[nH]c4C)ccc3[nH]2)n1
InChIInChI=1S/C23H18N8O2/c1-12-20(30-21(27-12)22(32)26-11-14-5-6-25-17(7-14)10-24)15-3-4-18-16(8-15)9-19(29-18)23-28-13(2)31-33-23/h3-9,29H,11H2,1-2H3,(H,26,32)(H,27,30)
InChIKeyFEWRWTWNQVIGQY-UHFFFAOYSA-N
MW438.45 g/mol
LogP3.42
Rot. Bonds5

About N-[(2-cyano-4-pyridinyl)methyl]-5-methyl-4-[2-(3-methyl-1,2,4-oxadiazol-5-yl)-1H-indol-5-yl]-1H-imidazole-2-carboxamide

N-[(2-cyano-4-pyridinyl)methyl]-5-methyl-4-[2-(3-methyl-1,2,4-oxadiazol-5-yl)-1H-indol-5-yl]-1H-imidazole-2-carboxamide (PubChem CID 135887134) has the molecular formula C23H18N8O2 and a molecular weight of 438.45 g/mol. Its IUPAC name is N-[(2-cyano-4-pyridinyl)methyl]-5-methyl-4-[2-(3-methyl-1,2,4-oxadiazol-5-yl)-1H-indol-5-yl]-1H-imidazole-2-carboxamide.

Molecular Properties

Compound NameN-[(2-cyano-4-pyridinyl)methyl]-5-methyl-4-[2-(3-methyl-1,2,4-oxadiazol-5-yl)-1H-indol-5-yl]-1H-imidazole-2-carboxamide
PubChem CID135887134
Molecular FormulaC23H18N8O2
Molecular Weight438.45 g/mol
Exact Mass438.16
IUPAC NameN-[(2-cyano-4-pyridinyl)methyl]-5-methyl-4-[2-(3-methyl-1,2,4-oxadiazol-5-yl)-1H-indol-5-yl]-1H-imidazole-2-carboxamide
SMILESCc1noc(-c2cc3cc(-c4nc(C(=O)NCc5ccnc(C#N)c5)[nH]c4C)ccc3[nH]2)n1
InChIInChI=1S/C23H18N8O2/c1-12-20(30-21(27-12)22(32)26-11-14-5-6-25-17(7-14)10-24)15-3-4-18-16(8-15)9-19(29-18)23-28-13(2)31-33-23/h3-9,29H,11H2,1-2H3,(H,26,32)(H,27,30)
InChIKeyFEWRWTWNQVIGQY-UHFFFAOYSA-N
XLogP3.42
TPSA149.17 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.45
LogP ≤ 53.42
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze N-[(2-cyano-4-pyridinyl)methyl]-5-methyl-4-[2-(3-methyl-1,2,4-oxadiazol-5-yl)-1H-indol-5-yl]-1H-imidazole-2-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[(2-cyano-4-pyridinyl)methyl]-5-methyl-4-[2-(3-methyl-1,2,4-oxadiazol-5-yl)-1H-indol-5-yl]-1H-imidazole-2-carboxamide?
The IUPAC name of N-[(2-cyano-4-pyridinyl)methyl]-5-methyl-4-[2-(3-methyl-1,2,4-oxadiazol-5-yl)-1H-indol-5-yl]-1H-imidazole-2-carboxamide (CID 135887134) is N-[(2-cyano-4-pyridinyl)methyl]-5-methyl-4-[2-(3-methyl-1,2,4-oxadiazol-5-yl)-1H-indol-5-yl]-1H-imidazole-2-carboxamide.
What is the SMILES notation for N-[(2-cyano-4-pyridinyl)methyl]-5-methyl-4-[2-(3-methyl-1,2,4-oxadiazol-5-yl)-1H-indol-5-yl]-1H-imidazole-2-carboxamide?
The canonical SMILES for N-[(2-cyano-4-pyridinyl)methyl]-5-methyl-4-[2-(3-methyl-1,2,4-oxadiazol-5-yl)-1H-indol-5-yl]-1H-imidazole-2-carboxamide is Cc1noc(-c2cc3cc(-c4nc(C(=O)NCc5ccnc(C#N)c5)[nH]c4C)ccc3[nH]2)n1.
What is the InChIKey of N-[(2-cyano-4-pyridinyl)methyl]-5-methyl-4-[2-(3-methyl-1,2,4-oxadiazol-5-yl)-1H-indol-5-yl]-1H-imidazole-2-carboxamide?
The InChIKey is FEWRWTWNQVIGQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18N8O2/c1-12-20(30-21(27-12)22(32)26-11-14-5-6-25-17(7-14)10-24)15-3-4-18-16(8-15)9-19(29-18)23-28-13(2)31-33-23/h3-9,29H,11H2,1-2H3,(H,26,32)(H,27,30).
What are the key properties of N-[(2-cyano-4-pyridinyl)methyl]-5-methyl-4-[2-(3-methyl-1,2,4-oxadiazol-5-yl)-1H-indol-5-yl]-1H-imidazole-2-carboxamide?
N-[(2-cyano-4-pyridinyl)methyl]-5-methyl-4-[2-(3-methyl-1,2,4-oxadiazol-5-yl)-1H-indol-5-yl]-1H-imidazole-2-carboxamide has a molecular weight of 438.45 g/mol, XLogP of 3.42, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-cyano-4-pyridinyl)methyl]-5-methyl-4-[2-(3-methyl-1,2,4-oxadiazol-5-yl)-1H-indol-5-yl]-1H-imidazole-2-carboxamide is sourced from PubChem (CID 135887134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).