7-methyl-N-[4-(1-methylimidazol-4-yl)pyrimidin-2-yl]-2-(1,3,4-oxadiazol-2-yl)-1H-indol-5-amine

C19H16N8O — CID 136593418

IUPAC7-methyl-N-[4-(1-methylimidazol-4-yl)pyrimidin-2-yl]-2-(1,3,4-oxadiazol-2-yl)-1H-indol-5-amine
SMILESCc1cc(Nc2nccc(-c3cn(C)cn3)n2)cc2cc(-c3nnco3)[nH]c12
InChIInChI=1S/C19H16N8O/c1-11-5-13(6-12-7-15(24-17(11)12)18-26-22-10-28-18)23-19-20-4-3-14(25-19)16-8-27(2)9-21-16/h3-10,24H,1-2H3,(H,20,23,25)
InChIKeyLRFVNHUNXDUBDX-UHFFFAOYSA-N
MW372.39 g/mol
LogP3.46
Rot. Bonds4

About 7-methyl-N-[4-(1-methylimidazol-4-yl)pyrimidin-2-yl]-2-(1,3,4-oxadiazol-2-yl)-1H-indol-5-amine

7-methyl-N-[4-(1-methylimidazol-4-yl)pyrimidin-2-yl]-2-(1,3,4-oxadiazol-2-yl)-1H-indol-5-amine (PubChem CID 136593418) has the molecular formula C19H16N8O and a molecular weight of 372.39 g/mol. Its IUPAC name is 7-methyl-N-[4-(1-methylimidazol-4-yl)pyrimidin-2-yl]-2-(1,3,4-oxadiazol-2-yl)-1H-indol-5-amine.

Molecular Properties

Compound Name7-methyl-N-[4-(1-methylimidazol-4-yl)pyrimidin-2-yl]-2-(1,3,4-oxadiazol-2-yl)-1H-indol-5-amine
PubChem CID136593418
Molecular FormulaC19H16N8O
Molecular Weight372.39 g/mol
Exact Mass372.14
IUPAC Name7-methyl-N-[4-(1-methylimidazol-4-yl)pyrimidin-2-yl]-2-(1,3,4-oxadiazol-2-yl)-1H-indol-5-amine
SMILESCc1cc(Nc2nccc(-c3cn(C)cn3)n2)cc2cc(-c3nnco3)[nH]c12
InChIInChI=1S/C19H16N8O/c1-11-5-13(6-12-7-15(24-17(11)12)18-26-22-10-28-18)23-19-20-4-3-14(25-19)16-8-27(2)9-21-16/h3-10,24H,1-2H3,(H,20,23,25)
InChIKeyLRFVNHUNXDUBDX-UHFFFAOYSA-N
XLogP3.46
TPSA110.34 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.39
LogP ≤ 53.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 7-methyl-N-[4-(1-methylimidazol-4-yl)pyrimidin-2-yl]-2-(1,3,4-oxadiazol-2-yl)-1H-indol-5-amine?
The IUPAC name of 7-methyl-N-[4-(1-methylimidazol-4-yl)pyrimidin-2-yl]-2-(1,3,4-oxadiazol-2-yl)-1H-indol-5-amine (CID 136593418) is 7-methyl-N-[4-(1-methylimidazol-4-yl)pyrimidin-2-yl]-2-(1,3,4-oxadiazol-2-yl)-1H-indol-5-amine.
What is the SMILES notation for 7-methyl-N-[4-(1-methylimidazol-4-yl)pyrimidin-2-yl]-2-(1,3,4-oxadiazol-2-yl)-1H-indol-5-amine?
The canonical SMILES for 7-methyl-N-[4-(1-methylimidazol-4-yl)pyrimidin-2-yl]-2-(1,3,4-oxadiazol-2-yl)-1H-indol-5-amine is Cc1cc(Nc2nccc(-c3cn(C)cn3)n2)cc2cc(-c3nnco3)[nH]c12.
What is the InChIKey of 7-methyl-N-[4-(1-methylimidazol-4-yl)pyrimidin-2-yl]-2-(1,3,4-oxadiazol-2-yl)-1H-indol-5-amine?
The InChIKey is LRFVNHUNXDUBDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N8O/c1-11-5-13(6-12-7-15(24-17(11)12)18-26-22-10-28-18)23-19-20-4-3-14(25-19)16-8-27(2)9-21-16/h3-10,24H,1-2H3,(H,20,23,25).
What are the key properties of 7-methyl-N-[4-(1-methylimidazol-4-yl)pyrimidin-2-yl]-2-(1,3,4-oxadiazol-2-yl)-1H-indol-5-amine?
7-methyl-N-[4-(1-methylimidazol-4-yl)pyrimidin-2-yl]-2-(1,3,4-oxadiazol-2-yl)-1H-indol-5-amine has a molecular weight of 372.39 g/mol, XLogP of 3.46, 4 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methyl-N-[4-(1-methylimidazol-4-yl)pyrimidin-2-yl]-2-(1,3,4-oxadiazol-2-yl)-1H-indol-5-amine is sourced from PubChem (CID 136593418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).