cyclohexyl-[[5-[3-(1H-pyrrolo[3,2-c]pyridin-2-yl)-1H-indazol-5-yl]-3-pyridinyl]amino]methanol

C26H26N6O — CID 137281395

About cyclohexyl-[[5-[3-(1H-pyrrolo[3,2-c]pyridin-2-yl)-1H-indazol-5-yl]-3-pyridinyl]amino]methanol

cyclohexyl-[[5-[3-(1H-pyrrolo[3,2-c]pyridin-2-yl)-1H-indazol-5-yl]-3-pyridinyl]amino]methanol (PubChem CID 137281395) has the molecular formula C26H26N6O and a molecular weight of 438.54 g/mol. Its IUPAC name is cyclohexyl-[[5-[3-(1H-pyrrolo[3,2-c]pyridin-2-yl)-1H-indazol-5-yl]-3-pyridinyl]amino]methanol.

Molecular Properties

• Compound Name: cyclohexyl-[[5-[3-(1H-pyrrolo[3,2-c]pyridin-2-yl)-1H-indazol-5-yl]-3-pyridinyl]amino]methanol
• PubChem CID: 137281395
• Molecular Formula: C26H26N6O
• Molecular Weight: 438.54 g/mol
• Exact Mass: 438.22
• IUPAC Name: cyclohexyl-[[5-[3-(1H-pyrrolo[3,2-c]pyridin-2-yl)-1H-indazol-5-yl]-3-pyridinyl]amino]methanol
• SMILES: OC(Nc1cncc(-c2ccc3[nH]nc(-c4cc5cnccc5[nH]4)c3c2)c1)C1CCCCC1
• InChI: InChI=1S/C26H26N6O/c33-26(16-4-2-1-3-5-16)29-20-10-18(13-28-15-20)17-6-7-23-21(11-17)25(32-31-23)24-12-19-14-27-9-8-22(19)30-24/h6-16,26,29-30,33H,1-5H2,(H,31,32)
• InChIKey: VMBDNXUTMRLFGN-UHFFFAOYSA-N
• XLogP: 5.48
• TPSA: 102.51 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	438.54
LogP ≤ 5	5.48
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of cyclohexyl-[[5-[3-(1H-pyrrolo[3,2-c]pyridin-2-yl)-1H-indazol-5-yl]-3-pyridinyl]amino]methanol?

The IUPAC name of cyclohexyl-[[5-[3-(1H-pyrrolo[3,2-c]pyridin-2-yl)-1H-indazol-5-yl]-3-pyridinyl]amino]methanol (CID 137281395) is cyclohexyl-[[5-[3-(1H-pyrrolo[3,2-c]pyridin-2-yl)-1H-indazol-5-yl]-3-pyridinyl]amino]methanol.

What is the SMILES notation for cyclohexyl-[[5-[3-(1H-pyrrolo[3,2-c]pyridin-2-yl)-1H-indazol-5-yl]-3-pyridinyl]amino]methanol?

The canonical SMILES for cyclohexyl-[[5-[3-(1H-pyrrolo[3,2-c]pyridin-2-yl)-1H-indazol-5-yl]-3-pyridinyl]amino]methanol is OC(Nc1cncc(-c2ccc3[nH]nc(-c4cc5cnccc5[nH]4)c3c2)c1)C1CCCCC1.

What is the InChIKey of cyclohexyl-[[5-[3-(1H-pyrrolo[3,2-c]pyridin-2-yl)-1H-indazol-5-yl]-3-pyridinyl]amino]methanol?

The InChIKey is VMBDNXUTMRLFGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26N6O/c33-26(16-4-2-1-3-5-16)29-20-10-18(13-28-15-20)17-6-7-23-21(11-17)25(32-31-23)24-12-19-14-27-9-8-22(19)30-24/h6-16,26,29-30,33H,1-5H2,(H,31,32).

What are the key properties of cyclohexyl-[[5-[3-(1H-pyrrolo[3,2-c]pyridin-2-yl)-1H-indazol-5-yl]-3-pyridinyl]amino]methanol?

cyclohexyl-[[5-[3-(1H-pyrrolo[3,2-c]pyridin-2-yl)-1H-indazol-5-yl]-3-pyridinyl]amino]methanol has a molecular weight of 438.54 g/mol, XLogP of 5.48, 5 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for cyclohexyl-[[5-[3-(1H-pyrrolo[3,2-c]pyridin-2-yl)-1H-indazol-5-yl]-3-pyridinyl]amino]methanol is sourced from PubChem (CID 137281395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).