tert-butyl 3-[1-[(2-methylpropan-2-yl)oxycarbonyl]-4-pyridin-3-ylpyrrolo[3,2-c]pyridin-2-yl]-5-(1-methylpyrazol-4-yl)pyrazolo[5,4-b]pyridine-1-carboxylate

C32H32N8O4 — CID 135286433

About tert-butyl 3-[1-[(2-methylpropan-2-yl)oxycarbonyl]-4-pyridin-3-ylpyrrolo[3,2-c]pyridin-2-yl]-5-(1-methylpyrazol-4-yl)pyrazolo[5,4-b]pyridine-1-carboxylate

tert-butyl 3-[1-[(2-methylpropan-2-yl)oxycarbonyl]-4-pyridin-3-ylpyrrolo[3,2-c]pyridin-2-yl]-5-(1-methylpyrazol-4-yl)pyrazolo[5,4-b]pyridine-1-carboxylate (PubChem CID 135286433) has the molecular formula C32H32N8O4 and a molecular weight of 592.66 g/mol. Its IUPAC name is tert-butyl 3-[1-[(2-methylpropan-2-yl)oxycarbonyl]-4-pyridin-3-ylpyrrolo[3,2-c]pyridin-2-yl]-5-(1-methylpyrazol-4-yl)pyrazolo[5,4-b]pyridine-1-carboxylate.

Molecular Properties

• Compound Name: tert-butyl 3-[1-[(2-methylpropan-2-yl)oxycarbonyl]-4-pyridin-3-ylpyrrolo[3,2-c]pyridin-2-yl]-5-(1-methylpyrazol-4-yl)pyrazolo[5,4-b]pyridine-1-carboxylate
• PubChem CID: 135286433
• Molecular Formula: C32H32N8O4
• Molecular Weight: 592.66 g/mol
• Exact Mass: 592.25
• IUPAC Name: tert-butyl 3-[1-[(2-methylpropan-2-yl)oxycarbonyl]-4-pyridin-3-ylpyrrolo[3,2-c]pyridin-2-yl]-5-(1-methylpyrazol-4-yl)pyrazolo[5,4-b]pyridine-1-carboxylate
• SMILES: Cn1cc(-c2cnc3c(c2)c(-c2cc4c(-c5cccnc5)nccc4n2C(=O)OC(C)(C)C)nn3C(=O)OC(C)(C)C)cn1
• InChI: InChI=1S/C32H32N8O4/c1-31(2,3)43-29(41)39-24-10-12-34-26(19-9-8-11-33-15-19)22(24)14-25(39)27-23-13-20(21-17-36-38(7)18-21)16-35-28(23)40(37-27)30(42)44-32(4,5)6/h8-18H,1-7H3
• InChIKey: ZNIYIHWUXDMFAQ-UHFFFAOYSA-N
• XLogP: 6.48
• TPSA: 131.84 Ų
• H-Bond Acceptors: 12
• Rotatable Bonds: 3
• Heavy Atoms: 44
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	592.66
LogP ≤ 5	6.48
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	12

Frequently Asked Questions

What is the IUPAC name of tert-butyl 3-[1-[(2-methylpropan-2-yl)oxycarbonyl]-4-pyridin-3-ylpyrrolo[3,2-c]pyridin-2-yl]-5-(1-methylpyrazol-4-yl)pyrazolo[5,4-b]pyridine-1-carboxylate?

The IUPAC name of tert-butyl 3-[1-[(2-methylpropan-2-yl)oxycarbonyl]-4-pyridin-3-ylpyrrolo[3,2-c]pyridin-2-yl]-5-(1-methylpyrazol-4-yl)pyrazolo[5,4-b]pyridine-1-carboxylate (CID 135286433) is tert-butyl 3-[1-[(2-methylpropan-2-yl)oxycarbonyl]-4-pyridin-3-ylpyrrolo[3,2-c]pyridin-2-yl]-5-(1-methylpyrazol-4-yl)pyrazolo[5,4-b]pyridine-1-carboxylate.

What is the SMILES notation for tert-butyl 3-[1-[(2-methylpropan-2-yl)oxycarbonyl]-4-pyridin-3-ylpyrrolo[3,2-c]pyridin-2-yl]-5-(1-methylpyrazol-4-yl)pyrazolo[5,4-b]pyridine-1-carboxylate?

The canonical SMILES for tert-butyl 3-[1-[(2-methylpropan-2-yl)oxycarbonyl]-4-pyridin-3-ylpyrrolo[3,2-c]pyridin-2-yl]-5-(1-methylpyrazol-4-yl)pyrazolo[5,4-b]pyridine-1-carboxylate is Cn1cc(-c2cnc3c(c2)c(-c2cc4c(-c5cccnc5)nccc4n2C(=O)OC(C)(C)C)nn3C(=O)OC(C)(C)C)cn1.

What is the InChIKey of tert-butyl 3-[1-[(2-methylpropan-2-yl)oxycarbonyl]-4-pyridin-3-ylpyrrolo[3,2-c]pyridin-2-yl]-5-(1-methylpyrazol-4-yl)pyrazolo[5,4-b]pyridine-1-carboxylate?

The InChIKey is ZNIYIHWUXDMFAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H32N8O4/c1-31(2,3)43-29(41)39-24-10-12-34-26(19-9-8-11-33-15-19)22(24)14-25(39)27-23-13-20(21-17-36-38(7)18-21)16-35-28(23)40(37-27)30(42)44-32(4,5)6/h8-18H,1-7H3.

What are the key properties of tert-butyl 3-[1-[(2-methylpropan-2-yl)oxycarbonyl]-4-pyridin-3-ylpyrrolo[3,2-c]pyridin-2-yl]-5-(1-methylpyrazol-4-yl)pyrazolo[5,4-b]pyridine-1-carboxylate?

tert-butyl 3-[1-[(2-methylpropan-2-yl)oxycarbonyl]-4-pyridin-3-ylpyrrolo[3,2-c]pyridin-2-yl]-5-(1-methylpyrazol-4-yl)pyrazolo[5,4-b]pyridine-1-carboxylate has a molecular weight of 592.66 g/mol, XLogP of 6.48, 3 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for tert-butyl 3-[1-[(2-methylpropan-2-yl)oxycarbonyl]-4-pyridin-3-ylpyrrolo[3,2-c]pyridin-2-yl]-5-(1-methylpyrazol-4-yl)pyrazolo[5,4-b]pyridine-1-carboxylate is sourced from PubChem (CID 135286433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).