3-[3-(2,3-dihydro-1H-inden-5-yl)-5-(5-methyl-1,3,4-thiadiazol-2-yl)imidazo[4,5-b]pyridin-2-yl]pyridin-2-amine

C23H19N7S — CID 176982092

About 3-[3-(2,3-dihydro-1H-inden-5-yl)-5-(5-methyl-1,3,4-thiadiazol-2-yl)imidazo[4,5-b]pyridin-2-yl]pyridin-2-amine

3-[3-(2,3-dihydro-1H-inden-5-yl)-5-(5-methyl-1,3,4-thiadiazol-2-yl)imidazo[4,5-b]pyridin-2-yl]pyridin-2-amine (PubChem CID 176982092) has the molecular formula C23H19N7S and a molecular weight of 425.52 g/mol. Its IUPAC name is 3-[3-(2,3-dihydro-1H-inden-5-yl)-5-(5-methyl-1,3,4-thiadiazol-2-yl)imidazo[4,5-b]pyridin-2-yl]pyridin-2-amine.

Molecular Properties

• Compound Name: 3-[3-(2,3-dihydro-1H-inden-5-yl)-5-(5-methyl-1,3,4-thiadiazol-2-yl)imidazo[4,5-b]pyridin-2-yl]pyridin-2-amine
• PubChem CID: 176982092
• Molecular Formula: C23H19N7S
• Molecular Weight: 425.52 g/mol
• Exact Mass: 425.14
• IUPAC Name: 3-[3-(2,3-dihydro-1H-inden-5-yl)-5-(5-methyl-1,3,4-thiadiazol-2-yl)imidazo[4,5-b]pyridin-2-yl]pyridin-2-amine
• SMILES: Cc1nnc(-c2ccc3nc(-c4cccnc4N)n(-c4ccc5c(c4)CCC5)c3n2)s1
• InChI: InChI=1S/C23H19N7S/c1-13-28-29-23(31-13)19-10-9-18-22(27-19)30(16-8-7-14-4-2-5-15(14)12-16)21(26-18)17-6-3-11-25-20(17)24/h3,6-12H,2,4-5H2,1H3,(H2,24,25)
• InChIKey: DSLHSNDDPGZCTI-UHFFFAOYSA-N
• XLogP: 4.38
• TPSA: 95.40 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 3
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	425.52
LogP ≤ 5	4.38
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 3-[3-(2,3-dihydro-1H-inden-5-yl)-5-(5-methyl-1,3,4-thiadiazol-2-yl)imidazo[4,5-b]pyridin-2-yl]pyridin-2-amine?

The IUPAC name of 3-[3-(2,3-dihydro-1H-inden-5-yl)-5-(5-methyl-1,3,4-thiadiazol-2-yl)imidazo[4,5-b]pyridin-2-yl]pyridin-2-amine (CID 176982092) is 3-[3-(2,3-dihydro-1H-inden-5-yl)-5-(5-methyl-1,3,4-thiadiazol-2-yl)imidazo[4,5-b]pyridin-2-yl]pyridin-2-amine.

What is the SMILES notation for 3-[3-(2,3-dihydro-1H-inden-5-yl)-5-(5-methyl-1,3,4-thiadiazol-2-yl)imidazo[4,5-b]pyridin-2-yl]pyridin-2-amine?

The canonical SMILES for 3-[3-(2,3-dihydro-1H-inden-5-yl)-5-(5-methyl-1,3,4-thiadiazol-2-yl)imidazo[4,5-b]pyridin-2-yl]pyridin-2-amine is Cc1nnc(-c2ccc3nc(-c4cccnc4N)n(-c4ccc5c(c4)CCC5)c3n2)s1.

What is the InChIKey of 3-[3-(2,3-dihydro-1H-inden-5-yl)-5-(5-methyl-1,3,4-thiadiazol-2-yl)imidazo[4,5-b]pyridin-2-yl]pyridin-2-amine?

The InChIKey is DSLHSNDDPGZCTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19N7S/c1-13-28-29-23(31-13)19-10-9-18-22(27-19)30(16-8-7-14-4-2-5-15(14)12-16)21(26-18)17-6-3-11-25-20(17)24/h3,6-12H,2,4-5H2,1H3,(H2,24,25).

What are the key properties of 3-[3-(2,3-dihydro-1H-inden-5-yl)-5-(5-methyl-1,3,4-thiadiazol-2-yl)imidazo[4,5-b]pyridin-2-yl]pyridin-2-amine?

3-[3-(2,3-dihydro-1H-inden-5-yl)-5-(5-methyl-1,3,4-thiadiazol-2-yl)imidazo[4,5-b]pyridin-2-yl]pyridin-2-amine has a molecular weight of 425.52 g/mol, XLogP of 4.38, 3 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[3-(2,3-dihydro-1H-inden-5-yl)-5-(5-methyl-1,3,4-thiadiazol-2-yl)imidazo[4,5-b]pyridin-2-yl]pyridin-2-amine is sourced from PubChem (CID 176982092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).