[(1R)-1-cyclopropylethyl] N-[4-(3-cyano-1-cyclopropyl-6-pyrimidin-2-yloxyindol-2-yl)phenyl]carbamate

C28H25N5O3 — CID 25052174

IUPAC[(1R)-1-cyclopropylethyl] N-[4-(3-cyano-1-cyclopropyl-6-pyrimidin-2-yloxyindol-2-yl)phenyl]carbamate
SMILESC[C@@H](OC(=O)Nc1ccc(-c2c(C#N)c3ccc(Oc4ncccn4)cc3n2C2CC2)cc1)C1CC1
InChIInChI=1S/C28H25N5O3/c1-17(18-3-4-18)35-28(34)32-20-7-5-19(6-8-20)26-24(16-29)23-12-11-22(36-27-30-13-2-14-31-27)15-25(23)33(26)21-9-10-21/h2,5-8,11-15,17-18,21H,3-4,9-10H2,1H3,(H,32,34)/t17-/m1/s1
InChIKeySNSJTHNJCMACAW-QGZVFWFLSA-N
MW479.54 g/mol
LogP6.44
Rot. Bonds7

About [(1R)-1-cyclopropylethyl] N-[4-(3-cyano-1-cyclopropyl-6-pyrimidin-2-yloxyindol-2-yl)phenyl]carbamate

[(1R)-1-cyclopropylethyl] N-[4-(3-cyano-1-cyclopropyl-6-pyrimidin-2-yloxyindol-2-yl)phenyl]carbamate (PubChem CID 25052174) has the molecular formula C28H25N5O3 and a molecular weight of 479.54 g/mol. Its IUPAC name is [(1R)-1-cyclopropylethyl] N-[4-(3-cyano-1-cyclopropyl-6-pyrimidin-2-yloxyindol-2-yl)phenyl]carbamate.

Molecular Properties

Compound Name[(1R)-1-cyclopropylethyl] N-[4-(3-cyano-1-cyclopropyl-6-pyrimidin-2-yloxyindol-2-yl)phenyl]carbamate
PubChem CID25052174
Molecular FormulaC28H25N5O3
Molecular Weight479.54 g/mol
Exact Mass479.20
IUPAC Name[(1R)-1-cyclopropylethyl] N-[4-(3-cyano-1-cyclopropyl-6-pyrimidin-2-yloxyindol-2-yl)phenyl]carbamate
SMILESC[C@@H](OC(=O)Nc1ccc(-c2c(C#N)c3ccc(Oc4ncccn4)cc3n2C2CC2)cc1)C1CC1
InChIInChI=1S/C28H25N5O3/c1-17(18-3-4-18)35-28(34)32-20-7-5-19(6-8-20)26-24(16-29)23-12-11-22(36-27-30-13-2-14-31-27)15-25(23)33(26)21-9-10-21/h2,5-8,11-15,17-18,21H,3-4,9-10H2,1H3,(H,32,34)/t17-/m1/s1
InChIKeySNSJTHNJCMACAW-QGZVFWFLSA-N
XLogP6.44
TPSA102.06 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500479.54
LogP ≤ 56.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze [(1R)-1-cyclopropylethyl] N-[4-(3-cyano-1-cyclopropyl-6-pyrimidin-2-yloxyindol-2-yl)phenyl]carbamate with MolForge

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Related Compounds

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CID 46887114
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CID 56645829
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CID 169428874
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CID 45271731
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CID 71681900
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CID 118607769
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Frequently Asked Questions

What is the IUPAC name of [(1R)-1-cyclopropylethyl] N-[4-(3-cyano-1-cyclopropyl-6-pyrimidin-2-yloxyindol-2-yl)phenyl]carbamate?
The IUPAC name of [(1R)-1-cyclopropylethyl] N-[4-(3-cyano-1-cyclopropyl-6-pyrimidin-2-yloxyindol-2-yl)phenyl]carbamate (CID 25052174) is [(1R)-1-cyclopropylethyl] N-[4-(3-cyano-1-cyclopropyl-6-pyrimidin-2-yloxyindol-2-yl)phenyl]carbamate.
What is the SMILES notation for [(1R)-1-cyclopropylethyl] N-[4-(3-cyano-1-cyclopropyl-6-pyrimidin-2-yloxyindol-2-yl)phenyl]carbamate?
The canonical SMILES for [(1R)-1-cyclopropylethyl] N-[4-(3-cyano-1-cyclopropyl-6-pyrimidin-2-yloxyindol-2-yl)phenyl]carbamate is C[C@@H](OC(=O)Nc1ccc(-c2c(C#N)c3ccc(Oc4ncccn4)cc3n2C2CC2)cc1)C1CC1.
What is the InChIKey of [(1R)-1-cyclopropylethyl] N-[4-(3-cyano-1-cyclopropyl-6-pyrimidin-2-yloxyindol-2-yl)phenyl]carbamate?
The InChIKey is SNSJTHNJCMACAW-QGZVFWFLSA-N. The full InChI is InChI=1S/C28H25N5O3/c1-17(18-3-4-18)35-28(34)32-20-7-5-19(6-8-20)26-24(16-29)23-12-11-22(36-27-30-13-2-14-31-27)15-25(23)33(26)21-9-10-21/h2,5-8,11-15,17-18,21H,3-4,9-10H2,1H3,(H,32,34)/t17-/m1/s1.
What are the key properties of [(1R)-1-cyclopropylethyl] N-[4-(3-cyano-1-cyclopropyl-6-pyrimidin-2-yloxyindol-2-yl)phenyl]carbamate?
[(1R)-1-cyclopropylethyl] N-[4-(3-cyano-1-cyclopropyl-6-pyrimidin-2-yloxyindol-2-yl)phenyl]carbamate has a molecular weight of 479.54 g/mol, XLogP of 6.44, 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-pyrimidin-2-yloxyindol-2-yl)phenyl]carbamate is sourced from PubChem (CID 25052174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).