propan-2-yl N-[4-(3-cyano-1-cyclobutyl-6-pyrimidin-2-yloxyindol-2-yl)-2-fluorophenyl]carbamate

C27H24FN5O3 — CID 25050997

IUPACpropan-2-yl N-[4-(3-cyano-1-cyclobutyl-6-pyrimidin-2-yloxyindol-2-yl)-2-fluorophenyl]carbamate
SMILESCC(C)OC(=O)Nc1ccc(-c2c(C#N)c3ccc(Oc4ncccn4)cc3n2C2CCC2)cc1F
InChIInChI=1S/C27H24FN5O3/c1-16(2)35-27(34)32-23-10-7-17(13-22(23)28)25-21(15-29)20-9-8-19(36-26-30-11-4-12-31-26)14-24(20)33(25)18-5-3-6-18/h4,7-14,16,18H,3,5-6H2,1-2H3,(H,32,34)
InChIKeyYCJPDLWIRBMBEM-UHFFFAOYSA-N
MW485.52 g/mol
LogP6.58
Rot. Bonds6

About propan-2-yl N-[4-(3-cyano-1-cyclobutyl-6-pyrimidin-2-yloxyindol-2-yl)-2-fluorophenyl]carbamate

propan-2-yl N-[4-(3-cyano-1-cyclobutyl-6-pyrimidin-2-yloxyindol-2-yl)-2-fluorophenyl]carbamate (PubChem CID 25050997) has the molecular formula C27H24FN5O3 and a molecular weight of 485.52 g/mol. Its IUPAC name is propan-2-yl N-[4-(3-cyano-1-cyclobutyl-6-pyrimidin-2-yloxyindol-2-yl)-2-fluorophenyl]carbamate.

Molecular Properties

Compound Namepropan-2-yl N-[4-(3-cyano-1-cyclobutyl-6-pyrimidin-2-yloxyindol-2-yl)-2-fluorophenyl]carbamate
PubChem CID25050997
Molecular FormulaC27H24FN5O3
Molecular Weight485.52 g/mol
Exact Mass485.19
IUPAC Namepropan-2-yl N-[4-(3-cyano-1-cyclobutyl-6-pyrimidin-2-yloxyindol-2-yl)-2-fluorophenyl]carbamate
SMILESCC(C)OC(=O)Nc1ccc(-c2c(C#N)c3ccc(Oc4ncccn4)cc3n2C2CCC2)cc1F
InChIInChI=1S/C27H24FN5O3/c1-16(2)35-27(34)32-23-10-7-17(13-22(23)28)25-21(15-29)20-9-8-19(36-26-30-11-4-12-31-26)14-24(20)33(25)18-5-3-6-18/h4,7-14,16,18H,3,5-6H2,1-2H3,(H,32,34)
InChIKeyYCJPDLWIRBMBEM-UHFFFAOYSA-N
XLogP6.58
TPSA102.06 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500485.52
LogP ≤ 56.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of propan-2-yl N-[4-(3-cyano-1-cyclobutyl-6-pyrimidin-2-yloxyindol-2-yl)-2-fluorophenyl]carbamate?
The IUPAC name of propan-2-yl N-[4-(3-cyano-1-cyclobutyl-6-pyrimidin-2-yloxyindol-2-yl)-2-fluorophenyl]carbamate (CID 25050997) is propan-2-yl N-[4-(3-cyano-1-cyclobutyl-6-pyrimidin-2-yloxyindol-2-yl)-2-fluorophenyl]carbamate.
What is the SMILES notation for propan-2-yl N-[4-(3-cyano-1-cyclobutyl-6-pyrimidin-2-yloxyindol-2-yl)-2-fluorophenyl]carbamate?
The canonical SMILES for propan-2-yl N-[4-(3-cyano-1-cyclobutyl-6-pyrimidin-2-yloxyindol-2-yl)-2-fluorophenyl]carbamate is CC(C)OC(=O)Nc1ccc(-c2c(C#N)c3ccc(Oc4ncccn4)cc3n2C2CCC2)cc1F.
What is the InChIKey of propan-2-yl N-[4-(3-cyano-1-cyclobutyl-6-pyrimidin-2-yloxyindol-2-yl)-2-fluorophenyl]carbamate?
The InChIKey is YCJPDLWIRBMBEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H24FN5O3/c1-16(2)35-27(34)32-23-10-7-17(13-22(23)28)25-21(15-29)20-9-8-19(36-26-30-11-4-12-31-26)14-24(20)33(25)18-5-3-6-18/h4,7-14,16,18H,3,5-6H2,1-2H3,(H,32,34).
What are the key properties of propan-2-yl N-[4-(3-cyano-1-cyclobutyl-6-pyrimidin-2-yloxyindol-2-yl)-2-fluorophenyl]carbamate?
propan-2-yl N-[4-(3-cyano-1-cyclobutyl-6-pyrimidin-2-yloxyindol-2-yl)-2-fluorophenyl]carbamate has a molecular weight of 485.52 g/mol, XLogP of 6.58, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl N-[4-(3-cyano-1-cyclobutyl-6-pyrimidin-2-yloxyindol-2-yl)-2-fluorophenyl]carbamate is sourced from PubChem (CID 25050997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).