[(2R)-3-methylpentan-2-yl] N-[4-[3-amino-1-cyclopropyl-6-(3-methylpyrazin-2-yl)oxyindol-2-yl]phenyl]carbamate

C29H33N5O3 — CID 71177522

About [(2R)-3-methylpentan-2-yl] N-[4-[3-amino-1-cyclopropyl-6-(3-methylpyrazin-2-yl)oxyindol-2-yl]phenyl]carbamate

[(2R)-3-methylpentan-2-yl] N-[4-[3-amino-1-cyclopropyl-6-(3-methylpyrazin-2-yl)oxyindol-2-yl]phenyl]carbamate (PubChem CID 71177522) has the molecular formula C29H33N5O3 and a molecular weight of 499.62 g/mol. Its IUPAC name is [(2R)-3-methylpentan-2-yl] N-[4-[3-amino-1-cyclopropyl-6-(3-methylpyrazin-2-yl)oxyindol-2-yl]phenyl]carbamate.

Molecular Properties

• Compound Name: [(2R)-3-methylpentan-2-yl] N-[4-[3-amino-1-cyclopropyl-6-(3-methylpyrazin-2-yl)oxyindol-2-yl]phenyl]carbamate
• PubChem CID: 71177522
• Molecular Formula: C29H33N5O3
• Molecular Weight: 499.62 g/mol
• Exact Mass: 499.26
• IUPAC Name: [(2R)-3-methylpentan-2-yl] N-[4-[3-amino-1-cyclopropyl-6-(3-methylpyrazin-2-yl)oxyindol-2-yl]phenyl]carbamate
• SMILES: CCC(C)[C@@H](C)OC(=O)Nc1ccc(-c2c(N)c3ccc(Oc4nccnc4C)cc3n2C2CC2)cc1
• InChI: InChI=1S/C29H33N5O3/c1-5-17(2)19(4)36-29(35)33-21-8-6-20(7-9-21)27-26(30)24-13-12-23(16-25(24)34(27)22-10-11-22)37-28-18(3)31-14-15-32-28/h6-9,12-17,19,22H,5,10-11,30H2,1-4H3,(H,33,35)/t17?,19-/m1/s1
• InChIKey: ZIAKGNAAQOFRMF-WHCXFUJUSA-N
• XLogP: 7.10
• TPSA: 104.29 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 8
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	499.62
LogP ≤ 5	7.10
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of [(2R)-3-methylpentan-2-yl] N-[4-[3-amino-1-cyclopropyl-6-(3-methylpyrazin-2-yl)oxyindol-2-yl]phenyl]carbamate?

The IUPAC name of [(2R)-3-methylpentan-2-yl] N-[4-[3-amino-1-cyclopropyl-6-(3-methylpyrazin-2-yl)oxyindol-2-yl]phenyl]carbamate (CID 71177522) is [(2R)-3-methylpentan-2-yl] N-[4-[3-amino-1-cyclopropyl-6-(3-methylpyrazin-2-yl)oxyindol-2-yl]phenyl]carbamate.

What is the SMILES notation for [(2R)-3-methylpentan-2-yl] N-[4-[3-amino-1-cyclopropyl-6-(3-methylpyrazin-2-yl)oxyindol-2-yl]phenyl]carbamate?

The canonical SMILES for [(2R)-3-methylpentan-2-yl] N-[4-[3-amino-1-cyclopropyl-6-(3-methylpyrazin-2-yl)oxyindol-2-yl]phenyl]carbamate is CCC(C)[C@@H](C)OC(=O)Nc1ccc(-c2c(N)c3ccc(Oc4nccnc4C)cc3n2C2CC2)cc1.

What is the InChIKey of [(2R)-3-methylpentan-2-yl] N-[4-[3-amino-1-cyclopropyl-6-(3-methylpyrazin-2-yl)oxyindol-2-yl]phenyl]carbamate?

The InChIKey is ZIAKGNAAQOFRMF-WHCXFUJUSA-N. The full InChI is InChI=1S/C29H33N5O3/c1-5-17(2)19(4)36-29(35)33-21-8-6-20(7-9-21)27-26(30)24-13-12-23(16-25(24)34(27)22-10-11-22)37-28-18(3)31-14-15-32-28/h6-9,12-17,19,22H,5,10-11,30H2,1-4H3,(H,33,35)/t17?,19-/m1/s1.

What are the key properties of [(2R)-3-methylpentan-2-yl] N-[4-[3-amino-1-cyclopropyl-6-(3-methylpyrazin-2-yl)oxyindol-2-yl]phenyl]carbamate?

[(2R)-3-methylpentan-2-yl] N-[4-[3-amino-1-cyclopropyl-6-(3-methylpyrazin-2-yl)oxyindol-2-yl]phenyl]carbamate has a molecular weight of 499.62 g/mol, XLogP of 7.10, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for [(2R)-3-methylpentan-2-yl] N-[4-[3-amino-1-cyclopropyl-6-(3-methylpyrazin-2-yl)oxyindol-2-yl]phenyl]carbamate is sourced from PubChem (CID 71177522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).