N-[4-[3-amino-6-(3-cyanopyrazin-2-yl)oxy-1-cyclopropylindol-2-yl]-3-methylphenyl]propane-1-sulfonamide

C26H26N6O3S — CID 70825634

IUPACN-[4-[3-amino-6-(3-cyanopyrazin-2-yl)oxy-1-cyclopropylindol-2-yl]-3-methylphenyl]propane-1-sulfonamide
SMILESCCCS(=O)(=O)Nc1ccc(-c2c(N)c3ccc(Oc4nccnc4C#N)cc3n2C2CC2)c(C)c1
InChIInChI=1S/C26H26N6O3S/c1-3-12-36(33,34)31-17-4-8-20(16(2)13-17)25-24(28)21-9-7-19(14-23(21)32(25)18-5-6-18)35-26-22(15-27)29-10-11-30-26/h4,7-11,13-14,18,31H,3,5-6,12,28H2,1-2H3
InChIKeyMLPZCIAZIAOQNA-UHFFFAOYSA-N
MW502.60 g/mol
LogP5.14
Rot. Bonds8

About N-[4-[3-amino-6-(3-cyanopyrazin-2-yl)oxy-1-cyclopropylindol-2-yl]-3-methylphenyl]propane-1-sulfonamide

N-[4-[3-amino-6-(3-cyanopyrazin-2-yl)oxy-1-cyclopropylindol-2-yl]-3-methylphenyl]propane-1-sulfonamide (PubChem CID 70825634) has the molecular formula C26H26N6O3S and a molecular weight of 502.60 g/mol. Its IUPAC name is N-[4-[3-amino-6-(3-cyanopyrazin-2-yl)oxy-1-cyclopropylindol-2-yl]-3-methylphenyl]propane-1-sulfonamide.

Molecular Properties

Compound NameN-[4-[3-amino-6-(3-cyanopyrazin-2-yl)oxy-1-cyclopropylindol-2-yl]-3-methylphenyl]propane-1-sulfonamide
PubChem CID70825634
Molecular FormulaC26H26N6O3S
Molecular Weight502.60 g/mol
Exact Mass502.18
IUPAC NameN-[4-[3-amino-6-(3-cyanopyrazin-2-yl)oxy-1-cyclopropylindol-2-yl]-3-methylphenyl]propane-1-sulfonamide
SMILESCCCS(=O)(=O)Nc1ccc(-c2c(N)c3ccc(Oc4nccnc4C#N)cc3n2C2CC2)c(C)c1
InChIInChI=1S/C26H26N6O3S/c1-3-12-36(33,34)31-17-4-8-20(16(2)13-17)25-24(28)21-9-7-19(14-23(21)32(25)18-5-6-18)35-26-22(15-27)29-10-11-30-26/h4,7-11,13-14,18,31H,3,5-6,12,28H2,1-2H3
InChIKeyMLPZCIAZIAOQNA-UHFFFAOYSA-N
XLogP5.14
TPSA135.92 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500502.60
LogP ≤ 55.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-[4-[3-amino-6-(3-cyanopyrazin-2-yl)oxy-1-cyclopropylindol-2-yl]-3-methylphenyl]propane-1-sulfonamide?
The IUPAC name of N-[4-[3-amino-6-(3-cyanopyrazin-2-yl)oxy-1-cyclopropylindol-2-yl]-3-methylphenyl]propane-1-sulfonamide (CID 70825634) is N-[4-[3-amino-6-(3-cyanopyrazin-2-yl)oxy-1-cyclopropylindol-2-yl]-3-methylphenyl]propane-1-sulfonamide.
What is the SMILES notation for N-[4-[3-amino-6-(3-cyanopyrazin-2-yl)oxy-1-cyclopropylindol-2-yl]-3-methylphenyl]propane-1-sulfonamide?
The canonical SMILES for N-[4-[3-amino-6-(3-cyanopyrazin-2-yl)oxy-1-cyclopropylindol-2-yl]-3-methylphenyl]propane-1-sulfonamide is CCCS(=O)(=O)Nc1ccc(-c2c(N)c3ccc(Oc4nccnc4C#N)cc3n2C2CC2)c(C)c1.
What is the InChIKey of N-[4-[3-amino-6-(3-cyanopyrazin-2-yl)oxy-1-cyclopropylindol-2-yl]-3-methylphenyl]propane-1-sulfonamide?
The InChIKey is MLPZCIAZIAOQNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26N6O3S/c1-3-12-36(33,34)31-17-4-8-20(16(2)13-17)25-24(28)21-9-7-19(14-23(21)32(25)18-5-6-18)35-26-22(15-27)29-10-11-30-26/h4,7-11,13-14,18,31H,3,5-6,12,28H2,1-2H3.
What are the key properties of N-[4-[3-amino-6-(3-cyanopyrazin-2-yl)oxy-1-cyclopropylindol-2-yl]-3-methylphenyl]propane-1-sulfonamide?
N-[4-[3-amino-6-(3-cyanopyrazin-2-yl)oxy-1-cyclopropylindol-2-yl]-3-methylphenyl]propane-1-sulfonamide has a molecular weight of 502.60 g/mol, XLogP of 5.14, 8 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[3-amino-6-(3-cyanopyrazin-2-yl)oxy-1-cyclopropylindol-2-yl]-3-methylphenyl]propane-1-sulfonamide is sourced from PubChem (CID 70825634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).