tert-butyl (3R)-3-[[6-[5-(6-propan-2-yloxypyrazin-2-yl)-1H-indol-3-yl]pyrazin-2-yl]amino]piperidine-1-carboxylate

C29H35N7O3 — CID 67960038

About tert-butyl (3R)-3-[[6-[5-(6-propan-2-yloxypyrazin-2-yl)-1H-indol-3-yl]pyrazin-2-yl]amino]piperidine-1-carboxylate

tert-butyl (3R)-3-[[6-[5-(6-propan-2-yloxypyrazin-2-yl)-1H-indol-3-yl]pyrazin-2-yl]amino]piperidine-1-carboxylate (PubChem CID 67960038) has the molecular formula C29H35N7O3 and a molecular weight of 529.65 g/mol. Its IUPAC name is tert-butyl (3R)-3-[[6-[5-(6-propan-2-yloxypyrazin-2-yl)-1H-indol-3-yl]pyrazin-2-yl]amino]piperidine-1-carboxylate.

Molecular Properties

• Compound Name: tert-butyl (3R)-3-[[6-[5-(6-propan-2-yloxypyrazin-2-yl)-1H-indol-3-yl]pyrazin-2-yl]amino]piperidine-1-carboxylate
• PubChem CID: 67960038
• Molecular Formula: C29H35N7O3
• Molecular Weight: 529.65 g/mol
• Exact Mass: 529.28
• IUPAC Name: tert-butyl (3R)-3-[[6-[5-(6-propan-2-yloxypyrazin-2-yl)-1H-indol-3-yl]pyrazin-2-yl]amino]piperidine-1-carboxylate
• SMILES: CC(C)Oc1cncc(-c2ccc3[nH]cc(-c4cncc(N[C@@H]5CCCN(C(=O)OC(C)(C)C)C5)n4)c3c2)n1
• InChI: InChI=1S/C29H35N7O3/c1-18(2)38-27-16-31-13-24(35-27)19-8-9-23-21(11-19)22(12-32-23)25-14-30-15-26(34-25)33-20-7-6-10-36(17-20)28(37)39-29(3,4)5/h8-9,11-16,18,20,32H,6-7,10,17H2,1-5H3,(H,33,34)/t20-/m1/s1
• InChIKey: XIJMUEXANLZUDL-HXUWFJFHSA-N
• XLogP: 5.68
• TPSA: 118.15 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 6
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	529.65
LogP ≤ 5	5.68
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of tert-butyl (3R)-3-[[6-[5-(6-propan-2-yloxypyrazin-2-yl)-1H-indol-3-yl]pyrazin-2-yl]amino]piperidine-1-carboxylate?

The IUPAC name of tert-butyl (3R)-3-[[6-[5-(6-propan-2-yloxypyrazin-2-yl)-1H-indol-3-yl]pyrazin-2-yl]amino]piperidine-1-carboxylate (CID 67960038) is tert-butyl (3R)-3-[[6-[5-(6-propan-2-yloxypyrazin-2-yl)-1H-indol-3-yl]pyrazin-2-yl]amino]piperidine-1-carboxylate.

What is the SMILES notation for tert-butyl (3R)-3-[[6-[5-(6-propan-2-yloxypyrazin-2-yl)-1H-indol-3-yl]pyrazin-2-yl]amino]piperidine-1-carboxylate?

The canonical SMILES for tert-butyl (3R)-3-[[6-[5-(6-propan-2-yloxypyrazin-2-yl)-1H-indol-3-yl]pyrazin-2-yl]amino]piperidine-1-carboxylate is CC(C)Oc1cncc(-c2ccc3[nH]cc(-c4cncc(N[C@@H]5CCCN(C(=O)OC(C)(C)C)C5)n4)c3c2)n1.

What is the InChIKey of tert-butyl (3R)-3-[[6-[5-(6-propan-2-yloxypyrazin-2-yl)-1H-indol-3-yl]pyrazin-2-yl]amino]piperidine-1-carboxylate?

The InChIKey is XIJMUEXANLZUDL-HXUWFJFHSA-N. The full InChI is InChI=1S/C29H35N7O3/c1-18(2)38-27-16-31-13-24(35-27)19-8-9-23-21(11-19)22(12-32-23)25-14-30-15-26(34-25)33-20-7-6-10-36(17-20)28(37)39-29(3,4)5/h8-9,11-16,18,20,32H,6-7,10,17H2,1-5H3,(H,33,34)/t20-/m1/s1.

What are the key properties of tert-butyl (3R)-3-[[6-[5-(6-propan-2-yloxypyrazin-2-yl)-1H-indol-3-yl]pyrazin-2-yl]amino]piperidine-1-carboxylate?

tert-butyl (3R)-3-[[6-[5-(6-propan-2-yloxypyrazin-2-yl)-1H-indol-3-yl]pyrazin-2-yl]amino]piperidine-1-carboxylate has a molecular weight of 529.65 g/mol, XLogP of 5.68, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for tert-butyl (3R)-3-[[6-[5-(6-propan-2-yloxypyrazin-2-yl)-1H-indol-3-yl]pyrazin-2-yl]amino]piperidine-1-carboxylate is sourced from PubChem (CID 67960038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).