N-methyl-5-[2-methyl-4-(1,3,5-trimethylpyrazol-4-yl)phenyl]-N-[(3-phenylimidazo[1,2-a]pyridin-6-yl)methyl]-1,3,4-oxadiazol-2-amine

C30H29N7O — CID 164610126

About N-methyl-5-[2-methyl-4-(1,3,5-trimethylpyrazol-4-yl)phenyl]-N-[(3-phenylimidazo[1,2-a]pyridin-6-yl)methyl]-1,3,4-oxadiazol-2-amine

N-methyl-5-[2-methyl-4-(1,3,5-trimethylpyrazol-4-yl)phenyl]-N-[(3-phenylimidazo[1,2-a]pyridin-6-yl)methyl]-1,3,4-oxadiazol-2-amine (PubChem CID 164610126) has the molecular formula C30H29N7O and a molecular weight of 503.61 g/mol. Its IUPAC name is N-methyl-5-[2-methyl-4-(1,3,5-trimethylpyrazol-4-yl)phenyl]-N-[(3-phenylimidazo[1,2-a]pyridin-6-yl)methyl]-1,3,4-oxadiazol-2-amine.

Molecular Properties

• Compound Name: N-methyl-5-[2-methyl-4-(1,3,5-trimethylpyrazol-4-yl)phenyl]-N-[(3-phenylimidazo[1,2-a]pyridin-6-yl)methyl]-1,3,4-oxadiazol-2-amine
• PubChem CID: 164610126
• Molecular Formula: C30H29N7O
• Molecular Weight: 503.61 g/mol
• Exact Mass: 503.24
• IUPAC Name: N-methyl-5-[2-methyl-4-(1,3,5-trimethylpyrazol-4-yl)phenyl]-N-[(3-phenylimidazo[1,2-a]pyridin-6-yl)methyl]-1,3,4-oxadiazol-2-amine
• SMILES: Cc1cc(-c2c(C)nn(C)c2C)ccc1-c1nnc(N(C)Cc2ccc3ncc(-c4ccccc4)n3c2)o1
• InChI: InChI=1S/C30H29N7O/c1-19-15-24(28-20(2)34-36(5)21(28)3)12-13-25(19)29-32-33-30(38-29)35(4)17-22-11-14-27-31-16-26(37(27)18-22)23-9-7-6-8-10-23/h6-16,18H,17H2,1-5H3
• InChIKey: PMJJGXAEXZHYMI-UHFFFAOYSA-N
• XLogP: 6.01
• TPSA: 77.28 Ų
• H-Bond Acceptors: 8
• Rotatable Bonds: 6
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	503.61
LogP ≤ 5	6.01
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of N-methyl-5-[2-methyl-4-(1,3,5-trimethylpyrazol-4-yl)phenyl]-N-[(3-phenylimidazo[1,2-a]pyridin-6-yl)methyl]-1,3,4-oxadiazol-2-amine?

The IUPAC name of N-methyl-5-[2-methyl-4-(1,3,5-trimethylpyrazol-4-yl)phenyl]-N-[(3-phenylimidazo[1,2-a]pyridin-6-yl)methyl]-1,3,4-oxadiazol-2-amine (CID 164610126) is N-methyl-5-[2-methyl-4-(1,3,5-trimethylpyrazol-4-yl)phenyl]-N-[(3-phenylimidazo[1,2-a]pyridin-6-yl)methyl]-1,3,4-oxadiazol-2-amine.

What is the SMILES notation for N-methyl-5-[2-methyl-4-(1,3,5-trimethylpyrazol-4-yl)phenyl]-N-[(3-phenylimidazo[1,2-a]pyridin-6-yl)methyl]-1,3,4-oxadiazol-2-amine?

The canonical SMILES for N-methyl-5-[2-methyl-4-(1,3,5-trimethylpyrazol-4-yl)phenyl]-N-[(3-phenylimidazo[1,2-a]pyridin-6-yl)methyl]-1,3,4-oxadiazol-2-amine is Cc1cc(-c2c(C)nn(C)c2C)ccc1-c1nnc(N(C)Cc2ccc3ncc(-c4ccccc4)n3c2)o1.

What is the InChIKey of N-methyl-5-[2-methyl-4-(1,3,5-trimethylpyrazol-4-yl)phenyl]-N-[(3-phenylimidazo[1,2-a]pyridin-6-yl)methyl]-1,3,4-oxadiazol-2-amine?

The InChIKey is PMJJGXAEXZHYMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H29N7O/c1-19-15-24(28-20(2)34-36(5)21(28)3)12-13-25(19)29-32-33-30(38-29)35(4)17-22-11-14-27-31-16-26(37(27)18-22)23-9-7-6-8-10-23/h6-16,18H,17H2,1-5H3.

What are the key properties of N-methyl-5-[2-methyl-4-(1,3,5-trimethylpyrazol-4-yl)phenyl]-N-[(3-phenylimidazo[1,2-a]pyridin-6-yl)methyl]-1,3,4-oxadiazol-2-amine?

N-methyl-5-[2-methyl-4-(1,3,5-trimethylpyrazol-4-yl)phenyl]-N-[(3-phenylimidazo[1,2-a]pyridin-6-yl)methyl]-1,3,4-oxadiazol-2-amine has a molecular weight of 503.61 g/mol, XLogP of 6.01, 6 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for N-methyl-5-[2-methyl-4-(1,3,5-trimethylpyrazol-4-yl)phenyl]-N-[(3-phenylimidazo[1,2-a]pyridin-6-yl)methyl]-1,3,4-oxadiazol-2-amine is sourced from PubChem (CID 164610126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).