N-[3-[7-(6-methyl-1H-indol-2-yl)-5H-pyrrolo[2,3-b]pyrazin-2-yl]phenyl]prop-2-enamide

C24H19N5O — CID 86300843

IUPACN-[3-[7-(6-methyl-1H-indol-2-yl)-5H-pyrrolo[2,3-b]pyrazin-2-yl]phenyl]prop-2-enamide
SMILESC=CC(=O)Nc1cccc(-c2cnc3[nH]cc(-c4cc5ccc(C)cc5[nH]4)c3n2)c1
InChIInChI=1S/C24H19N5O/c1-3-22(30)27-17-6-4-5-15(10-17)21-13-26-24-23(29-21)18(12-25-24)20-11-16-8-7-14(2)9-19(16)28-20/h3-13,28H,1H2,2H3,(H,25,26)(H,27,30)
InChIKeySARMZCOBRIBHGD-UHFFFAOYSA-N
MW393.45 g/mol
LogP5.21
Rot. Bonds4

About N-[3-[7-(6-methyl-1H-indol-2-yl)-5H-pyrrolo[2,3-b]pyrazin-2-yl]phenyl]prop-2-enamide

N-[3-[7-(6-methyl-1H-indol-2-yl)-5H-pyrrolo[2,3-b]pyrazin-2-yl]phenyl]prop-2-enamide (PubChem CID 86300843) has the molecular formula C24H19N5O and a molecular weight of 393.45 g/mol. Its IUPAC name is N-[3-[7-(6-methyl-1H-indol-2-yl)-5H-pyrrolo[2,3-b]pyrazin-2-yl]phenyl]prop-2-enamide.

Molecular Properties

Compound NameN-[3-[7-(6-methyl-1H-indol-2-yl)-5H-pyrrolo[2,3-b]pyrazin-2-yl]phenyl]prop-2-enamide
PubChem CID86300843
Molecular FormulaC24H19N5O
Molecular Weight393.45 g/mol
Exact Mass393.16
IUPAC NameN-[3-[7-(6-methyl-1H-indol-2-yl)-5H-pyrrolo[2,3-b]pyrazin-2-yl]phenyl]prop-2-enamide
SMILESC=CC(=O)Nc1cccc(-c2cnc3[nH]cc(-c4cc5ccc(C)cc5[nH]4)c3n2)c1
InChIInChI=1S/C24H19N5O/c1-3-22(30)27-17-6-4-5-15(10-17)21-13-26-24-23(29-21)18(12-25-24)20-11-16-8-7-14(2)9-19(16)28-20/h3-13,28H,1H2,2H3,(H,25,26)(H,27,30)
InChIKeySARMZCOBRIBHGD-UHFFFAOYSA-N
XLogP5.21
TPSA86.46 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500393.45
LogP ≤ 55.21
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[3-[7-(6-methyl-1H-indol-2-yl)-5H-pyrrolo[2,3-b]pyrazin-2-yl]phenyl]prop-2-enamide?
The IUPAC name of N-[3-[7-(6-methyl-1H-indol-2-yl)-5H-pyrrolo[2,3-b]pyrazin-2-yl]phenyl]prop-2-enamide (CID 86300843) is N-[3-[7-(6-methyl-1H-indol-2-yl)-5H-pyrrolo[2,3-b]pyrazin-2-yl]phenyl]prop-2-enamide.
What is the SMILES notation for N-[3-[7-(6-methyl-1H-indol-2-yl)-5H-pyrrolo[2,3-b]pyrazin-2-yl]phenyl]prop-2-enamide?
The canonical SMILES for N-[3-[7-(6-methyl-1H-indol-2-yl)-5H-pyrrolo[2,3-b]pyrazin-2-yl]phenyl]prop-2-enamide is C=CC(=O)Nc1cccc(-c2cnc3[nH]cc(-c4cc5ccc(C)cc5[nH]4)c3n2)c1.
What is the InChIKey of N-[3-[7-(6-methyl-1H-indol-2-yl)-5H-pyrrolo[2,3-b]pyrazin-2-yl]phenyl]prop-2-enamide?
The InChIKey is SARMZCOBRIBHGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19N5O/c1-3-22(30)27-17-6-4-5-15(10-17)21-13-26-24-23(29-21)18(12-25-24)20-11-16-8-7-14(2)9-19(16)28-20/h3-13,28H,1H2,2H3,(H,25,26)(H,27,30).
What are the key properties of N-[3-[7-(6-methyl-1H-indol-2-yl)-5H-pyrrolo[2,3-b]pyrazin-2-yl]phenyl]prop-2-enamide?
N-[3-[7-(6-methyl-1H-indol-2-yl)-5H-pyrrolo[2,3-b]pyrazin-2-yl]phenyl]prop-2-enamide has a molecular weight of 393.45 g/mol, XLogP of 5.21, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[7-(6-methyl-1H-indol-2-yl)-5H-pyrrolo[2,3-b]pyrazin-2-yl]phenyl]prop-2-enamide is sourced from PubChem (CID 86300843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).