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

C28H29N9O — CID 164615038

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

N-methyl-N-[[3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyridin-6-yl]methyl]-5-[2-methyl-4-(1,3,5-trimethylpyrazol-4-yl)phenyl]-1,3,4-oxadiazol-2-amine (PubChem CID 164615038) has the molecular formula C28H29N9O and a molecular weight of 507.60 g/mol. Its IUPAC name is N-methyl-N-[[3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyridin-6-yl]methyl]-5-[2-methyl-4-(1,3,5-trimethylpyrazol-4-yl)phenyl]-1,3,4-oxadiazol-2-amine.

Molecular Properties

• Compound Name: N-methyl-N-[[3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyridin-6-yl]methyl]-5-[2-methyl-4-(1,3,5-trimethylpyrazol-4-yl)phenyl]-1,3,4-oxadiazol-2-amine
• PubChem CID: 164615038
• Molecular Formula: C28H29N9O
• Molecular Weight: 507.60 g/mol
• Exact Mass: 507.25
• IUPAC Name: N-methyl-N-[[3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyridin-6-yl]methyl]-5-[2-methyl-4-(1,3,5-trimethylpyrazol-4-yl)phenyl]-1,3,4-oxadiazol-2-amine
• SMILES: Cc1cc(-c2c(C)nn(C)c2C)ccc1-c1nnc(N(C)Cc2ccc3ncc(-c4cnn(C)c4)n3c2)o1
• InChI: InChI=1S/C28H29N9O/c1-17-11-21(26-18(2)33-36(6)19(26)3)8-9-23(17)27-31-32-28(38-27)34(4)14-20-7-10-25-29-13-24(37(25)15-20)22-12-30-35(5)16-22/h7-13,15-16H,14H2,1-6H3
• InChIKey: UYUHIXSXWHTNEO-UHFFFAOYSA-N
• XLogP: 4.75
• TPSA: 95.10 Ų
• H-Bond Acceptors: 10
• Rotatable Bonds: 6
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	507.60
LogP ≤ 5	4.75
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	10

Frequently Asked Questions

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

The IUPAC name of N-methyl-N-[[3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyridin-6-yl]methyl]-5-[2-methyl-4-(1,3,5-trimethylpyrazol-4-yl)phenyl]-1,3,4-oxadiazol-2-amine (CID 164615038) is N-methyl-N-[[3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyridin-6-yl]methyl]-5-[2-methyl-4-(1,3,5-trimethylpyrazol-4-yl)phenyl]-1,3,4-oxadiazol-2-amine.

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

The canonical SMILES for N-methyl-N-[[3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyridin-6-yl]methyl]-5-[2-methyl-4-(1,3,5-trimethylpyrazol-4-yl)phenyl]-1,3,4-oxadiazol-2-amine is Cc1cc(-c2c(C)nn(C)c2C)ccc1-c1nnc(N(C)Cc2ccc3ncc(-c4cnn(C)c4)n3c2)o1.

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

The InChIKey is UYUHIXSXWHTNEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H29N9O/c1-17-11-21(26-18(2)33-36(6)19(26)3)8-9-23(17)27-31-32-28(38-27)34(4)14-20-7-10-25-29-13-24(37(25)15-20)22-12-30-35(5)16-22/h7-13,15-16H,14H2,1-6H3.

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

N-methyl-N-[[3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyridin-6-yl]methyl]-5-[2-methyl-4-(1,3,5-trimethylpyrazol-4-yl)phenyl]-1,3,4-oxadiazol-2-amine has a molecular weight of 507.60 g/mol, XLogP of 4.75, 6 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for N-methyl-N-[[3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyridin-6-yl]methyl]-5-[2-methyl-4-(1,3,5-trimethylpyrazol-4-yl)phenyl]-1,3,4-oxadiazol-2-amine is sourced from PubChem (CID 164615038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).