8-N,7-dimethyl-6-[2-[(Z)-pent-2-en-2-yl]iminoethyl]-2-N-(4-phosphanylphenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2,8-dicarboxamide;ethene

C26H36N5O2P — CID 142221621

IUPAC8-N,7-dimethyl-6-[2-[(Z)-pent-2-en-2-yl]iminoethyl]-2-N-(4-phosphanylphenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2,8-dicarboxamide;ethene
SMILESC=C.CC/C=C(C)\N=C\Cc1c(C)c(C(=O)NC)c2n1CCN(C(=O)Nc1ccc(P)cc1)C2
InChIInChI=1S/C24H32N5O2P.C2H4/c1-5-6-16(2)26-12-11-20-17(3)22(23(30)25-4)21-15-28(13-14-29(20)21)24(31)27-18-7-9-19(32)10-8-18;1-2/h6-10,12H,5,11,13-15,32H2,1-4H3,(H,25,30)(H,27,31);1-2H2/b16-6-,26-12+;
InChIKeyCHLNCGOHAKBHMR-QBGMVHLJSA-N
MW481.58 g/mol
LogP4.43
Rot. Bonds6

About 8-N,7-dimethyl-6-[2-[(Z)-pent-2-en-2-yl]iminoethyl]-2-N-(4-phosphanylphenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2,8-dicarboxamide;ethene

8-N,7-dimethyl-6-[2-[(Z)-pent-2-en-2-yl]iminoethyl]-2-N-(4-phosphanylphenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2,8-dicarboxamide;ethene (PubChem CID 142221621) has the molecular formula C26H36N5O2P and a molecular weight of 481.58 g/mol. Its IUPAC name is 8-N,7-dimethyl-6-[2-[(Z)-pent-2-en-2-yl]iminoethyl]-2-N-(4-phosphanylphenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2,8-dicarboxamide;ethene.

Molecular Properties

Compound Name8-N,7-dimethyl-6-[2-[(Z)-pent-2-en-2-yl]iminoethyl]-2-N-(4-phosphanylphenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2,8-dicarboxamide;ethene
PubChem CID142221621
Molecular FormulaC26H36N5O2P
Molecular Weight481.58 g/mol
Exact Mass481.26
IUPAC Name8-N,7-dimethyl-6-[2-[(Z)-pent-2-en-2-yl]iminoethyl]-2-N-(4-phosphanylphenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2,8-dicarboxamide;ethene
SMILESC=C.CC/C=C(C)\N=C\Cc1c(C)c(C(=O)NC)c2n1CCN(C(=O)Nc1ccc(P)cc1)C2
InChIInChI=1S/C24H32N5O2P.C2H4/c1-5-6-16(2)26-12-11-20-17(3)22(23(30)25-4)21-15-28(13-14-29(20)21)24(31)27-18-7-9-19(32)10-8-18;1-2/h6-10,12H,5,11,13-15,32H2,1-4H3,(H,25,30)(H,27,31);1-2H2/b16-6-,26-12+;
InChIKeyCHLNCGOHAKBHMR-QBGMVHLJSA-N
XLogP4.43
TPSA78.73 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500481.58
LogP ≤ 54.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

7-chloro-2-N-[4-[2-[ethyl(methyl)amino]ethyl-methylcarbamoyl]phenyl]-6-[(2Z,4Z)-hepta-2,4-dienyl]-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2,8-dicarboxamide
CID 142221589
1-N-methyl-4-N-(4-methylphenyl)piperazine-1,4-dicarboxamide
CID 23990210
7-chloro-6-[2-[(Z)-2-methylpent-2-enyl]iminoethyl]-2-N-(2-phenylcyclopropyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2,8-dicarboxamide
CID 142221561
7-cyano-2-N-[4-(2-morpholin-4-ylacetyl)phenyl]-6-prop-2-enyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2,8-dicarboxamide;prop-1-ene
CID 142221570
1-N,4-N-bis(4-methylphenyl)piperazine-1,4-dicarboxamide
CID 4055899
N-[4-(methylcarbamoyl)phenyl]morpholine-4-carboxamide
CID 47033018
7-chloro-2-N-(4-cyanophenyl)-6-cyclohexa-2,4-dien-1-yl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2,8-dicarboxamide
CID 142221620
N-[4-(methylamino)phenyl]-4-propylpiperazine-1-carboxamide
CID 59608963
N-phenyl-4-prop-2-enylpiperazine-1-carboxamide
CID 23822231
ethyl 4-[(8-carbamoyl-7-chloro-6-pyridin-3-yl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carbonyl)amino]benzoate
CID 58761873
N-(4-acetamidophenyl)-4-[(E)-3-phenylprop-2-enyl]piperazine-1-carboxamide
CID 108990296
7-chloro-2-N-(4-chlorophenyl)-6-phenyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2,8-dicarboxamide
CID 58761841

Frequently Asked Questions

What is the IUPAC name of 8-N,7-dimethyl-6-[2-[(Z)-pent-2-en-2-yl]iminoethyl]-2-N-(4-phosphanylphenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2,8-dicarboxamide;ethene?
The IUPAC name of 8-N,7-dimethyl-6-[2-[(Z)-pent-2-en-2-yl]iminoethyl]-2-N-(4-phosphanylphenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2,8-dicarboxamide;ethene (CID 142221621) is 8-N,7-dimethyl-6-[2-[(Z)-pent-2-en-2-yl]iminoethyl]-2-N-(4-phosphanylphenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2,8-dicarboxamide;ethene.
What is the SMILES notation for 8-N,7-dimethyl-6-[2-[(Z)-pent-2-en-2-yl]iminoethyl]-2-N-(4-phosphanylphenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2,8-dicarboxamide;ethene?
The canonical SMILES for 8-N,7-dimethyl-6-[2-[(Z)-pent-2-en-2-yl]iminoethyl]-2-N-(4-phosphanylphenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2,8-dicarboxamide;ethene is C=C.CC/C=C(C)\N=C\Cc1c(C)c(C(=O)NC)c2n1CCN(C(=O)Nc1ccc(P)cc1)C2.
What is the InChIKey of 8-N,7-dimethyl-6-[2-[(Z)-pent-2-en-2-yl]iminoethyl]-2-N-(4-phosphanylphenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2,8-dicarboxamide;ethene?
The InChIKey is CHLNCGOHAKBHMR-QBGMVHLJSA-N. The full InChI is InChI=1S/C24H32N5O2P.C2H4/c1-5-6-16(2)26-12-11-20-17(3)22(23(30)25-4)21-15-28(13-14-29(20)21)24(31)27-18-7-9-19(32)10-8-18;1-2/h6-10,12H,5,11,13-15,32H2,1-4H3,(H,25,30)(H,27,31);1-2H2/b16-6-,26-12+;.
What are the key properties of 8-N,7-dimethyl-6-[2-[(Z)-pent-2-en-2-yl]iminoethyl]-2-N-(4-phosphanylphenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2,8-dicarboxamide;ethene?
8-N,7-dimethyl-6-[2-[(Z)-pent-2-en-2-yl]iminoethyl]-2-N-(4-phosphanylphenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2,8-dicarboxamide;ethene has a molecular weight of 481.58 g/mol, XLogP of 4.43, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-N,7-dimethyl-6-[2-[(Z)-pent-2-en-2-yl]iminoethyl]-2-N-(4-phosphanylphenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2,8-dicarboxamide;ethene is sourced from PubChem (CID 142221621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).