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

C23H17N5O — CID 86300985

IUPACN-[3-[7-(1H-indol-2-yl)-5H-pyrrolo[2,3-b]pyrazin-2-yl]phenyl]prop-2-enamide
SMILESC=CC(=O)Nc1cccc(-c2cnc3[nH]cc(-c4cc5ccccc5[nH]4)c3n2)c1
InChIInChI=1S/C23H17N5O/c1-2-21(29)26-16-8-5-7-14(10-16)20-13-25-23-22(28-20)17(12-24-23)19-11-15-6-3-4-9-18(15)27-19/h2-13,27H,1H2,(H,24,25)(H,26,29)
InChIKeyVLGNIXMNEJONBN-UHFFFAOYSA-N
MW379.42 g/mol
LogP4.90
Rot. Bonds4

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

N-[3-[7-(1H-indol-2-yl)-5H-pyrrolo[2,3-b]pyrazin-2-yl]phenyl]prop-2-enamide (PubChem CID 86300985) has the molecular formula C23H17N5O and a molecular weight of 379.42 g/mol. Its IUPAC name is N-[3-[7-(1H-indol-2-yl)-5H-pyrrolo[2,3-b]pyrazin-2-yl]phenyl]prop-2-enamide.

Molecular Properties

Compound NameN-[3-[7-(1H-indol-2-yl)-5H-pyrrolo[2,3-b]pyrazin-2-yl]phenyl]prop-2-enamide
PubChem CID86300985
Molecular FormulaC23H17N5O
Molecular Weight379.42 g/mol
Exact Mass379.14
IUPAC NameN-[3-[7-(1H-indol-2-yl)-5H-pyrrolo[2,3-b]pyrazin-2-yl]phenyl]prop-2-enamide
SMILESC=CC(=O)Nc1cccc(-c2cnc3[nH]cc(-c4cc5ccccc5[nH]4)c3n2)c1
InChIInChI=1S/C23H17N5O/c1-2-21(29)26-16-8-5-7-14(10-16)20-13-25-23-22(28-20)17(12-24-23)19-11-15-6-3-4-9-18(15)27-19/h2-13,27H,1H2,(H,24,25)(H,26,29)
InChIKeyVLGNIXMNEJONBN-UHFFFAOYSA-N
XLogP4.90
TPSA86.46 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.42
LogP ≤ 54.90
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-(1H-indol-2-yl)-5H-pyrrolo[2,3-b]pyrazin-2-yl]phenyl]prop-2-enamide?
The IUPAC name of N-[3-[7-(1H-indol-2-yl)-5H-pyrrolo[2,3-b]pyrazin-2-yl]phenyl]prop-2-enamide (CID 86300985) is N-[3-[7-(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-(1H-indol-2-yl)-5H-pyrrolo[2,3-b]pyrazin-2-yl]phenyl]prop-2-enamide?
The canonical SMILES for N-[3-[7-(1H-indol-2-yl)-5H-pyrrolo[2,3-b]pyrazin-2-yl]phenyl]prop-2-enamide is C=CC(=O)Nc1cccc(-c2cnc3[nH]cc(-c4cc5ccccc5[nH]4)c3n2)c1.
What is the InChIKey of N-[3-[7-(1H-indol-2-yl)-5H-pyrrolo[2,3-b]pyrazin-2-yl]phenyl]prop-2-enamide?
The InChIKey is VLGNIXMNEJONBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H17N5O/c1-2-21(29)26-16-8-5-7-14(10-16)20-13-25-23-22(28-20)17(12-24-23)19-11-15-6-3-4-9-18(15)27-19/h2-13,27H,1H2,(H,24,25)(H,26,29).
What are the key properties of N-[3-[7-(1H-indol-2-yl)-5H-pyrrolo[2,3-b]pyrazin-2-yl]phenyl]prop-2-enamide?
N-[3-[7-(1H-indol-2-yl)-5H-pyrrolo[2,3-b]pyrazin-2-yl]phenyl]prop-2-enamide has a molecular weight of 379.42 g/mol, XLogP of 4.90, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[7-(1H-indol-2-yl)-5H-pyrrolo[2,3-b]pyrazin-2-yl]phenyl]prop-2-enamide is sourced from PubChem (CID 86300985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).