3-(1H-imidazol-5-yl)-1-(oxan-2-yl)-5-(1H-pyrrolo[2,3-c]pyridin-4-yl)indazole;3-(1H-imidazol-5-yl)-5-(1H-pyrrolo[2,3-c]pyridin-4-yl)-1H-indazole;methane

C₄₀H₃₆N₁₂O — CID 157466394

About 3-(1H-imidazol-5-yl)-1-(oxan-2-yl)-5-(1H-pyrrolo[2,3-c]pyridin-4-yl)indazole;3-(1H-imidazol-5-yl)-5-(1H-pyrrolo[2,3-c]pyridin-4-yl)-1H-indazole;methane

3-(1H-imidazol-5-yl)-1-(oxan-2-yl)-5-(1H-pyrrolo[2,3-c]pyridin-4-yl)indazole;3-(1H-imidazol-5-yl)-5-(1H-pyrrolo[2,3-c]pyridin-4-yl)-1H-indazole;methane (PubChem CID 157466394) has the molecular formula C₄₀H₃₆N₁₂O and a molecular weight of 700.81 g/mol. Its IUPAC name is 3-(1H-imidazol-5-yl)-1-(oxan-2-yl)-5-(1H-pyrrolo[2,3-c]pyridin-4-yl)indazole;3-(1H-imidazol-5-yl)-5-(1H-pyrrolo[2,3-c]pyridin-4-yl)-1H-indazole;methane.

Molecular Properties

• Compound Name: 3-(1H-imidazol-5-yl)-1-(oxan-2-yl)-5-(1H-pyrrolo[2,3-c]pyridin-4-yl)indazole;3-(1H-imidazol-5-yl)-5-(1H-pyrrolo[2,3-c]pyridin-4-yl)-1H-indazole;methane
• PubChem CID: 157466394
• Molecular Formula: C₄₀H₃₆N₁₂O
• Molecular Weight: 700.81 g/mol
• Exact Mass: 700.31
• IUPAC Name: 3-(1H-imidazol-5-yl)-1-(oxan-2-yl)-5-(1H-pyrrolo[2,3-c]pyridin-4-yl)indazole;3-(1H-imidazol-5-yl)-5-(1H-pyrrolo[2,3-c]pyridin-4-yl)-1H-indazole;methane
• SMILES: C.c1ncc(-c2n[nH]c3ccc(-c4cncc5[nH]ccc45)cc23)[nH]1.c1ncc(-c2nn(C3CCCCO3)c3ccc(-c4cncc5[nH]ccc45)cc23)[nH]1
• InChI: InChI=1S/C22H20N6O.C17H12N6.CH4/c1-2-8-29-21(3-1)28-20-5-4-14(17-10-23-11-18-15(17)6-7-25-18)9-16(20)22(27-28)19-12-24-13-26-19;1-2-14-12(17(23-22-14)16-8-19-9-21-16)5-10(1)13-6-18-7-15-11(13)3-4-20-15;/h4-7,9-13,21,25H,1-3,8H2,(H,24,26);1-9,20H,(H,19,21)(H,22,23);1H4
• InChIKey: BUNLEAYEKFGFNN-UHFFFAOYSA-N
• XLogP: 8.80
• TPSA: 170.45 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 8
• Rotatable Bonds: 5
• Heavy Atoms: 53
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	700.81
LogP ≤ 5	8.80
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 3-(1H-imidazol-5-yl)-1-(oxan-2-yl)-5-(1H-pyrrolo[2,3-c]pyridin-4-yl)indazole;3-(1H-imidazol-5-yl)-5-(1H-pyrrolo[2,3-c]pyridin-4-yl)-1H-indazole;methane?

The IUPAC name of 3-(1H-imidazol-5-yl)-1-(oxan-2-yl)-5-(1H-pyrrolo[2,3-c]pyridin-4-yl)indazole;3-(1H-imidazol-5-yl)-5-(1H-pyrrolo[2,3-c]pyridin-4-yl)-1H-indazole;methane (CID 157466394) is 3-(1H-imidazol-5-yl)-1-(oxan-2-yl)-5-(1H-pyrrolo[2,3-c]pyridin-4-yl)indazole;3-(1H-imidazol-5-yl)-5-(1H-pyrrolo[2,3-c]pyridin-4-yl)-1H-indazole;methane.

What is the SMILES notation for 3-(1H-imidazol-5-yl)-1-(oxan-2-yl)-5-(1H-pyrrolo[2,3-c]pyridin-4-yl)indazole;3-(1H-imidazol-5-yl)-5-(1H-pyrrolo[2,3-c]pyridin-4-yl)-1H-indazole;methane?

The canonical SMILES for 3-(1H-imidazol-5-yl)-1-(oxan-2-yl)-5-(1H-pyrrolo[2,3-c]pyridin-4-yl)indazole;3-(1H-imidazol-5-yl)-5-(1H-pyrrolo[2,3-c]pyridin-4-yl)-1H-indazole;methane is C.c1ncc(-c2n[nH]c3ccc(-c4cncc5[nH]ccc45)cc23)[nH]1.c1ncc(-c2nn(C3CCCCO3)c3ccc(-c4cncc5[nH]ccc45)cc23)[nH]1.

What is the InChIKey of 3-(1H-imidazol-5-yl)-1-(oxan-2-yl)-5-(1H-pyrrolo[2,3-c]pyridin-4-yl)indazole;3-(1H-imidazol-5-yl)-5-(1H-pyrrolo[2,3-c]pyridin-4-yl)-1H-indazole;methane?

The InChIKey is BUNLEAYEKFGFNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N6O.C17H12N6.CH4/c1-2-8-29-21(3-1)28-20-5-4-14(17-10-23-11-18-15(17)6-7-25-18)9-16(20)22(27-28)19-12-24-13-26-19;1-2-14-12(17(23-22-14)16-8-19-9-21-16)5-10(1)13-6-18-7-15-11(13)3-4-20-15;/h4-7,9-13,21,25H,1-3,8H2,(H,24,26);1-9,20H,(H,19,21)(H,22,23);1H4.

What are the key properties of 3-(1H-imidazol-5-yl)-1-(oxan-2-yl)-5-(1H-pyrrolo[2,3-c]pyridin-4-yl)indazole;3-(1H-imidazol-5-yl)-5-(1H-pyrrolo[2,3-c]pyridin-4-yl)-1H-indazole;methane?

3-(1H-imidazol-5-yl)-1-(oxan-2-yl)-5-(1H-pyrrolo[2,3-c]pyridin-4-yl)indazole;3-(1H-imidazol-5-yl)-5-(1H-pyrrolo[2,3-c]pyridin-4-yl)-1H-indazole;methane has a molecular weight of 700.81 g/mol, XLogP of 8.80, 5 rotatable bonds, 5 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 3-(1H-imidazol-5-yl)-1-(oxan-2-yl)-5-(1H-pyrrolo[2,3-c]pyridin-4-yl)indazole;3-(1H-imidazol-5-yl)-5-(1H-pyrrolo[2,3-c]pyridin-4-yl)-1H-indazole;methane is sourced from PubChem (CID 157466394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 157466394 — identifiers, structure, computed properties (public domain)

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