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

C29H33N5O3 — CID 71177522

IUPAC[(2R)-3-methylpentan-2-yl] N-[4-[3-amino-1-cyclopropyl-6-(3-methylpyrazin-2-yl)oxyindol-2-yl]phenyl]carbamate
SMILESCCC(C)[C@@H](C)OC(=O)Nc1ccc(-c2c(N)c3ccc(Oc4nccnc4C)cc3n2C2CC2)cc1
InChIInChI=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
InChIKeyZIAKGNAAQOFRMF-WHCXFUJUSA-N
MW499.62 g/mol
LogP7.10
Rot. Bonds8

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 CID71177522
Molecular FormulaC29H33N5O3
Molecular Weight499.62 g/mol
Exact Mass499.26
IUPAC Name[(2R)-3-methylpentan-2-yl] N-[4-[3-amino-1-cyclopropyl-6-(3-methylpyrazin-2-yl)oxyindol-2-yl]phenyl]carbamate
SMILESCCC(C)[C@@H](C)OC(=O)Nc1ccc(-c2c(N)c3ccc(Oc4nccnc4C)cc3n2C2CC2)cc1
InChIInChI=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
InChIKeyZIAKGNAAQOFRMF-WHCXFUJUSA-N
XLogP7.10
TPSA104.29 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500499.62
LogP ≤ 57.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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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).