5-[3-[4-(4-methylimidazol-1-yl)-1H-pyrrolo[2,3-b]pyridin-2-yl]-1H-indazol-5-yl]-2-propan-2-ylpyridin-3-amine

C26H24N8 — CID 137112399

About 5-[3-[4-(4-methylimidazol-1-yl)-1H-pyrrolo[2,3-b]pyridin-2-yl]-1H-indazol-5-yl]-2-propan-2-ylpyridin-3-amine

5-[3-[4-(4-methylimidazol-1-yl)-1H-pyrrolo[2,3-b]pyridin-2-yl]-1H-indazol-5-yl]-2-propan-2-ylpyridin-3-amine (PubChem CID 137112399) has the molecular formula C26H24N8 and a molecular weight of 448.53 g/mol. Its IUPAC name is 5-[3-[4-(4-methylimidazol-1-yl)-1H-pyrrolo[2,3-b]pyridin-2-yl]-1H-indazol-5-yl]-2-propan-2-ylpyridin-3-amine.

Molecular Properties

• Compound Name: 5-[3-[4-(4-methylimidazol-1-yl)-1H-pyrrolo[2,3-b]pyridin-2-yl]-1H-indazol-5-yl]-2-propan-2-ylpyridin-3-amine
• PubChem CID: 137112399
• Molecular Formula: C26H24N8
• Molecular Weight: 448.53 g/mol
• Exact Mass: 448.21
• IUPAC Name: 5-[3-[4-(4-methylimidazol-1-yl)-1H-pyrrolo[2,3-b]pyridin-2-yl]-1H-indazol-5-yl]-2-propan-2-ylpyridin-3-amine
• SMILES: Cc1cn(-c2ccnc3[nH]c(-c4n[nH]c5ccc(-c6cnc(C(C)C)c(N)c6)cc45)cc23)cn1
• InChI: InChI=1S/C26H24N8/c1-14(2)24-20(27)9-17(11-29-24)16-4-5-21-18(8-16)25(33-32-21)22-10-19-23(6-7-28-26(19)31-22)34-12-15(3)30-13-34/h4-14H,27H2,1-3H3,(H,28,31)(H,32,33)
• InChIKey: ZQDIEZHWHKUGTM-UHFFFAOYSA-N
• XLogP: 5.37
• TPSA: 114.09 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 6
• Rotatable Bonds: 4
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	448.53
LogP ≤ 5	5.37
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 5-[3-[4-(4-methylimidazol-1-yl)-1H-pyrrolo[2,3-b]pyridin-2-yl]-1H-indazol-5-yl]-2-propan-2-ylpyridin-3-amine?

The IUPAC name of 5-[3-[4-(4-methylimidazol-1-yl)-1H-pyrrolo[2,3-b]pyridin-2-yl]-1H-indazol-5-yl]-2-propan-2-ylpyridin-3-amine (CID 137112399) is 5-[3-[4-(4-methylimidazol-1-yl)-1H-pyrrolo[2,3-b]pyridin-2-yl]-1H-indazol-5-yl]-2-propan-2-ylpyridin-3-amine.

What is the SMILES notation for 5-[3-[4-(4-methylimidazol-1-yl)-1H-pyrrolo[2,3-b]pyridin-2-yl]-1H-indazol-5-yl]-2-propan-2-ylpyridin-3-amine?

The canonical SMILES for 5-[3-[4-(4-methylimidazol-1-yl)-1H-pyrrolo[2,3-b]pyridin-2-yl]-1H-indazol-5-yl]-2-propan-2-ylpyridin-3-amine is Cc1cn(-c2ccnc3[nH]c(-c4n[nH]c5ccc(-c6cnc(C(C)C)c(N)c6)cc45)cc23)cn1.

What is the InChIKey of 5-[3-[4-(4-methylimidazol-1-yl)-1H-pyrrolo[2,3-b]pyridin-2-yl]-1H-indazol-5-yl]-2-propan-2-ylpyridin-3-amine?

The InChIKey is ZQDIEZHWHKUGTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24N8/c1-14(2)24-20(27)9-17(11-29-24)16-4-5-21-18(8-16)25(33-32-21)22-10-19-23(6-7-28-26(19)31-22)34-12-15(3)30-13-34/h4-14H,27H2,1-3H3,(H,28,31)(H,32,33).

What are the key properties of 5-[3-[4-(4-methylimidazol-1-yl)-1H-pyrrolo[2,3-b]pyridin-2-yl]-1H-indazol-5-yl]-2-propan-2-ylpyridin-3-amine?

5-[3-[4-(4-methylimidazol-1-yl)-1H-pyrrolo[2,3-b]pyridin-2-yl]-1H-indazol-5-yl]-2-propan-2-ylpyridin-3-amine has a molecular weight of 448.53 g/mol, XLogP of 5.37, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[3-[4-(4-methylimidazol-1-yl)-1H-pyrrolo[2,3-b]pyridin-2-yl]-1H-indazol-5-yl]-2-propan-2-ylpyridin-3-amine is sourced from PubChem (CID 137112399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).