About [(1R)-1-cyclopropylethyl] N-[4-[3-cyano-1-cyclopropyl-6-(4-methylpyrimidin-2-yl)oxyindol-2-yl]phenyl]carbamate
[(1R)-1-cyclopropylethyl] N-[4-[3-cyano-1-cyclopropyl-6-(4-methylpyrimidin-2-yl)oxyindol-2-yl]phenyl]carbamate (PubChem CID 59606454) has the molecular formula C29H27N5O3
and a molecular weight of 493.57 g/mol. Its IUPAC name is [(1R)-1-cyclopropylethyl] N-[4-[3-cyano-1-cyclopropyl-6-(4-methylpyrimidin-2-yl)oxyindol-2-yl]phenyl]carbamate.
Molecular Properties
| Compound Name | [(1R)-1-cyclopropylethyl] N-[4-[3-cyano-1-cyclopropyl-6-(4-methylpyrimidin-2-yl)oxyindol-2-yl]phenyl]carbamate |
|---|
| PubChem CID | 59606454 |
|---|
| Molecular Formula | C29H27N5O3 |
|---|
| Molecular Weight | 493.57 g/mol |
|---|
| Exact Mass | 493.21 |
|---|
| IUPAC Name | [(1R)-1-cyclopropylethyl] N-[4-[3-cyano-1-cyclopropyl-6-(4-methylpyrimidin-2-yl)oxyindol-2-yl]phenyl]carbamate |
|---|
| SMILES | Cc1ccnc(Oc2ccc3c(C#N)c(-c4ccc(NC(=O)O[C@H](C)C5CC5)cc4)n(C4CC4)c3c2)n1 |
|---|
| InChI | InChI=1S/C29H27N5O3/c1-17-13-14-31-28(32-17)37-23-11-12-24-25(16-30)27(34(22-9-10-22)26(24)15-23)20-5-7-21(8-6-20)33-29(35)36-18(2)19-3-4-19/h5-8,11-15,18-19,22H,3-4,9-10H2,1-2H3,(H,33,35)/t18-/m1/s1 |
|---|
| InChIKey | GBDILTMQHXJQFJ-GOSISDBHSA-N |
|---|
| XLogP | 6.75 |
|---|
| TPSA | 102.06 Ų |
|---|
| H-Bond Donors | 1 |
|---|
| H-Bond Acceptors | 7 |
|---|
| Rotatable Bonds | 7 |
|---|
| Heavy Atoms | 37 |
|---|
| Complexity | — |
|---|
Lipinski Rule of Five
1 violation
| Rule | Value |
|---|
| MW ≤ 500 | 493.57 |
| LogP ≤ 5 | 6.75 |
| H-Bond Donors ≤ 5 | 1 |
| H-Bond Acceptors ≤ 10 | 7 |
Analyze [(1R)-1-cyclopropylethyl] N-[4-[3-cyano-1-cyclopropyl-6-(4-methylpyrimidin-2-yl)oxyindol-2-yl]phenyl]carbamate with MolForge
Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.
Launch Full Analysis
Frequently Asked Questions
What is the IUPAC name of [(1R)-1-cyclopropylethyl] N-[4-[3-cyano-1-cyclopropyl-6-(4-methylpyrimidin-2-yl)oxyindol-2-yl]phenyl]carbamate?
The IUPAC name of [(1R)-1-cyclopropylethyl] N-[4-[3-cyano-1-cyclopropyl-6-(4-methylpyrimidin-2-yl)oxyindol-2-yl]phenyl]carbamate (CID 59606454) is [(1R)-1-cyclopropylethyl] N-[4-[3-cyano-1-cyclopropyl-6-(4-methylpyrimidin-2-yl)oxyindol-2-yl]phenyl]carbamate.
What is the SMILES notation for [(1R)-1-cyclopropylethyl] N-[4-[3-cyano-1-cyclopropyl-6-(4-methylpyrimidin-2-yl)oxyindol-2-yl]phenyl]carbamate?
The canonical SMILES for [(1R)-1-cyclopropylethyl] N-[4-[3-cyano-1-cyclopropyl-6-(4-methylpyrimidin-2-yl)oxyindol-2-yl]phenyl]carbamate is Cc1ccnc(Oc2ccc3c(C#N)c(-c4ccc(NC(=O)O[C@H](C)C5CC5)cc4)n(C4CC4)c3c2)n1.
What is the InChIKey of [(1R)-1-cyclopropylethyl] N-[4-[3-cyano-1-cyclopropyl-6-(4-methylpyrimidin-2-yl)oxyindol-2-yl]phenyl]carbamate?
The InChIKey is GBDILTMQHXJQFJ-GOSISDBHSA-N. The full InChI is InChI=1S/C29H27N5O3/c1-17-13-14-31-28(32-17)37-23-11-12-24-25(16-30)27(34(22-9-10-22)26(24)15-23)20-5-7-21(8-6-20)33-29(35)36-18(2)19-3-4-19/h5-8,11-15,18-19,22H,3-4,9-10H2,1-2H3,(H,33,35)/t18-/m1/s1.
What are the key properties of [(1R)-1-cyclopropylethyl] N-[4-[3-cyano-1-cyclopropyl-6-(4-methylpyrimidin-2-yl)oxyindol-2-yl]phenyl]carbamate?
[(1R)-1-cyclopropylethyl] N-[4-[3-cyano-1-cyclopropyl-6-(4-methylpyrimidin-2-yl)oxyindol-2-yl]phenyl]carbamate has a molecular weight of 493.57 g/mol, XLogP of 6.75, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R)-1-cyclopropylethyl] N-[4-[3-cyano-1-cyclopropyl-6-(4-methylpyrimidin-2-yl)oxyindol-2-yl]phenyl]carbamate is sourced from PubChem (CID 59606454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).