4-(2,3-dihydro-1H-inden-5-yl)-3-methyl-N-[1-(5-pyridin-2-yl-1H-pyrazolo[4,3-b]pyridin-3-yl)ethenyl]pyridin-2-amine

C28H24N6 — CID 145253538

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

4-(2,3-dihydro-1H-inden-5-yl)-3-methyl-N-[1-(5-pyridin-2-yl-1H-pyrazolo[4,3-b]pyridin-3-yl)ethenyl]pyridin-2-amine (PubChem CID 145253538) has the molecular formula C28H24N6 and a molecular weight of 444.54 g/mol. Its IUPAC name is 4-(2,3-dihydro-1H-inden-5-yl)-3-methyl-N-[1-(5-pyridin-2-yl-1H-pyrazolo[4,3-b]pyridin-3-yl)ethenyl]pyridin-2-amine.

Molecular Properties

• Compound Name: 4-(2,3-dihydro-1H-inden-5-yl)-3-methyl-N-[1-(5-pyridin-2-yl-1H-pyrazolo[4,3-b]pyridin-3-yl)ethenyl]pyridin-2-amine
• PubChem CID: 145253538
• Molecular Formula: C28H24N6
• Molecular Weight: 444.54 g/mol
• Exact Mass: 444.21
• IUPAC Name: 4-(2,3-dihydro-1H-inden-5-yl)-3-methyl-N-[1-(5-pyridin-2-yl-1H-pyrazolo[4,3-b]pyridin-3-yl)ethenyl]pyridin-2-amine
• SMILES: C=C(Nc1nccc(-c2ccc3c(c2)CCC3)c1C)c1n[nH]c2ccc(-c3ccccn3)nc12
• InChI: InChI=1S/C28H24N6/c1-17-22(21-10-9-19-6-5-7-20(19)16-21)13-15-30-28(17)31-18(2)26-27-25(33-34-26)12-11-24(32-27)23-8-3-4-14-29-23/h3-4,8-16H,2,5-7H2,1H3,(H,30,31)(H,33,34)
• InChIKey: KEDSLCDDTZENHL-UHFFFAOYSA-N
• XLogP: 5.96
• TPSA: 79.38 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	444.54
LogP ≤ 5	5.96
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

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

The IUPAC name of 4-(2,3-dihydro-1H-inden-5-yl)-3-methyl-N-[1-(5-pyridin-2-yl-1H-pyrazolo[4,3-b]pyridin-3-yl)ethenyl]pyridin-2-amine (CID 145253538) is 4-(2,3-dihydro-1H-inden-5-yl)-3-methyl-N-[1-(5-pyridin-2-yl-1H-pyrazolo[4,3-b]pyridin-3-yl)ethenyl]pyridin-2-amine.

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

The canonical SMILES for 4-(2,3-dihydro-1H-inden-5-yl)-3-methyl-N-[1-(5-pyridin-2-yl-1H-pyrazolo[4,3-b]pyridin-3-yl)ethenyl]pyridin-2-amine is C=C(Nc1nccc(-c2ccc3c(c2)CCC3)c1C)c1n[nH]c2ccc(-c3ccccn3)nc12.

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

The InChIKey is KEDSLCDDTZENHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H24N6/c1-17-22(21-10-9-19-6-5-7-20(19)16-21)13-15-30-28(17)31-18(2)26-27-25(33-34-26)12-11-24(32-27)23-8-3-4-14-29-23/h3-4,8-16H,2,5-7H2,1H3,(H,30,31)(H,33,34).

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

4-(2,3-dihydro-1H-inden-5-yl)-3-methyl-N-[1-(5-pyridin-2-yl-1H-pyrazolo[4,3-b]pyridin-3-yl)ethenyl]pyridin-2-amine has a molecular weight of 444.54 g/mol, XLogP of 5.96, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 4-(2,3-dihydro-1H-inden-5-yl)-3-methyl-N-[1-(5-pyridin-2-yl-1H-pyrazolo[4,3-b]pyridin-3-yl)ethenyl]pyridin-2-amine is sourced from PubChem (CID 145253538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).