7-(4-methoxyphenyl)-6-[4-(prop-2-enoylamino)phenyl]pyrrolo[1,2-a]pyrazine-8-carboxamide

C24H20N4O3 — CID 175985399

IUPAC7-(4-methoxyphenyl)-6-[4-(prop-2-enoylamino)phenyl]pyrrolo[1,2-a]pyrazine-8-carboxamide
SMILESC=CC(=O)Nc1ccc(-c2c(-c3ccc(OC)cc3)c(C(N)=O)c3cnccn23)cc1
InChIInChI=1S/C24H20N4O3/c1-3-20(29)27-17-8-4-16(5-9-17)23-21(15-6-10-18(31-2)11-7-15)22(24(25)30)19-14-26-12-13-28(19)23/h3-14H,1H2,2H3,(H2,25,30)(H,27,29)
InChIKeyKDIOUIVNKFHVHC-UHFFFAOYSA-N
MW412.45 g/mol
LogP3.90
Rot. Bonds6

About 7-(4-methoxyphenyl)-6-[4-(prop-2-enoylamino)phenyl]pyrrolo[1,2-a]pyrazine-8-carboxamide

7-(4-methoxyphenyl)-6-[4-(prop-2-enoylamino)phenyl]pyrrolo[1,2-a]pyrazine-8-carboxamide (PubChem CID 175985399) has the molecular formula C24H20N4O3 and a molecular weight of 412.45 g/mol. Its IUPAC name is 7-(4-methoxyphenyl)-6-[4-(prop-2-enoylamino)phenyl]pyrrolo[1,2-a]pyrazine-8-carboxamide.

Molecular Properties

Compound Name7-(4-methoxyphenyl)-6-[4-(prop-2-enoylamino)phenyl]pyrrolo[1,2-a]pyrazine-8-carboxamide
PubChem CID175985399
Molecular FormulaC24H20N4O3
Molecular Weight412.45 g/mol
Exact Mass412.15
IUPAC Name7-(4-methoxyphenyl)-6-[4-(prop-2-enoylamino)phenyl]pyrrolo[1,2-a]pyrazine-8-carboxamide
SMILESC=CC(=O)Nc1ccc(-c2c(-c3ccc(OC)cc3)c(C(N)=O)c3cnccn23)cc1
InChIInChI=1S/C24H20N4O3/c1-3-20(29)27-17-8-4-16(5-9-17)23-21(15-6-10-18(31-2)11-7-15)22(24(25)30)19-14-26-12-13-28(19)23/h3-14H,1H2,2H3,(H2,25,30)(H,27,29)
InChIKeyKDIOUIVNKFHVHC-UHFFFAOYSA-N
XLogP3.90
TPSA98.72 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.45
LogP ≤ 53.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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 7-(4-methoxyphenyl)-6-[4-(prop-2-enoylamino)phenyl]pyrrolo[1,2-a]pyrazine-8-carboxamide?
The IUPAC name of 7-(4-methoxyphenyl)-6-[4-(prop-2-enoylamino)phenyl]pyrrolo[1,2-a]pyrazine-8-carboxamide (CID 175985399) is 7-(4-methoxyphenyl)-6-[4-(prop-2-enoylamino)phenyl]pyrrolo[1,2-a]pyrazine-8-carboxamide.
What is the SMILES notation for 7-(4-methoxyphenyl)-6-[4-(prop-2-enoylamino)phenyl]pyrrolo[1,2-a]pyrazine-8-carboxamide?
The canonical SMILES for 7-(4-methoxyphenyl)-6-[4-(prop-2-enoylamino)phenyl]pyrrolo[1,2-a]pyrazine-8-carboxamide is C=CC(=O)Nc1ccc(-c2c(-c3ccc(OC)cc3)c(C(N)=O)c3cnccn23)cc1.
What is the InChIKey of 7-(4-methoxyphenyl)-6-[4-(prop-2-enoylamino)phenyl]pyrrolo[1,2-a]pyrazine-8-carboxamide?
The InChIKey is KDIOUIVNKFHVHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20N4O3/c1-3-20(29)27-17-8-4-16(5-9-17)23-21(15-6-10-18(31-2)11-7-15)22(24(25)30)19-14-26-12-13-28(19)23/h3-14H,1H2,2H3,(H2,25,30)(H,27,29).
What are the key properties of 7-(4-methoxyphenyl)-6-[4-(prop-2-enoylamino)phenyl]pyrrolo[1,2-a]pyrazine-8-carboxamide?
7-(4-methoxyphenyl)-6-[4-(prop-2-enoylamino)phenyl]pyrrolo[1,2-a]pyrazine-8-carboxamide has a molecular weight of 412.45 g/mol, XLogP of 3.90, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(4-methoxyphenyl)-6-[4-(prop-2-enoylamino)phenyl]pyrrolo[1,2-a]pyrazine-8-carboxamide is sourced from PubChem (CID 175985399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).