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

C26H32ClN5O2 — CID 142221561

IUPAC7-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
SMILESCC/C=C(/C)C/N=C/Cc1c(Cl)c(C(N)=O)c2n1CCN(C(=O)NC1CC1c1ccccc1)C2
InChIInChI=1S/C26H32ClN5O2/c1-3-7-17(2)15-29-11-10-21-24(27)23(25(28)33)22-16-31(12-13-32(21)22)26(34)30-20-14-19(20)18-8-5-4-6-9-18/h4-9,11,19-20H,3,10,12-16H2,1-2H3,(H2,28,33)(H,30,34)/b17-7-,29-11+
InChIKeyUEANROAVHNBBRO-ZEHMEHMLSA-N
MW482.03 g/mol
LogP4.29
Rot. Bonds8

About 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

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 (PubChem CID 142221561) has the molecular formula C26H32ClN5O2 and a molecular weight of 482.03 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name7-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
PubChem CID142221561
Molecular FormulaC26H32ClN5O2
Molecular Weight482.03 g/mol
Exact Mass481.22
IUPAC Name7-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
SMILESCC/C=C(/C)C/N=C/Cc1c(Cl)c(C(N)=O)c2n1CCN(C(=O)NC1CC1c1ccccc1)C2
InChIInChI=1S/C26H32ClN5O2/c1-3-7-17(2)15-29-11-10-21-24(27)23(25(28)33)22-16-31(12-13-32(21)22)26(34)30-20-14-19(20)18-8-5-4-6-9-18/h4-9,11,19-20H,3,10,12-16H2,1-2H3,(H2,28,33)(H,30,34)/b17-7-,29-11+
InChIKeyUEANROAVHNBBRO-ZEHMEHMLSA-N
XLogP4.29
TPSA92.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500482.03
LogP ≤ 54.29
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'}

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Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CC/C=C(/C)C/N=C/Cc1c(Cl)c(C(N)=O)c2n1CCN(C(=O)NC1CC1c1ccccc1)C2.
What is the InChIKey of 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?
The InChIKey is UEANROAVHNBBRO-ZEHMEHMLSA-N. The full InChI is InChI=1S/C26H32ClN5O2/c1-3-7-17(2)15-29-11-10-21-24(27)23(25(28)33)22-16-31(12-13-32(21)22)26(34)30-20-14-19(20)18-8-5-4-6-9-18/h4-9,11,19-20H,3,10,12-16H2,1-2H3,(H2,28,33)(H,30,34)/b17-7-,29-11+.
What are the key properties of 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?
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 has a molecular weight of 482.03 g/mol, XLogP of 4.29, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 142221561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).