N-propan-2-yl-2-(4-prop-2-enoylpiperazin-1-yl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide

C17H22N6O2 — CID 118116294

IUPACN-propan-2-yl-2-(4-prop-2-enoylpiperazin-1-yl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide
SMILESC=CC(=O)N1CCN(c2cnc3[nH]cc(C(=O)NC(C)C)c3n2)CC1
InChIInChI=1S/C17H22N6O2/c1-4-14(24)23-7-5-22(6-8-23)13-10-19-16-15(21-13)12(9-18-16)17(25)20-11(2)3/h4,9-11H,1,5-8H2,2-3H3,(H,18,19)(H,20,25)
InChIKeyCJYSMRQEPCFHKJ-UHFFFAOYSA-N
MW342.40 g/mol
LogP0.93
Rot. Bonds4

About N-propan-2-yl-2-(4-prop-2-enoylpiperazin-1-yl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide

N-propan-2-yl-2-(4-prop-2-enoylpiperazin-1-yl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide (PubChem CID 118116294) has the molecular formula C17H22N6O2 and a molecular weight of 342.40 g/mol. Its IUPAC name is N-propan-2-yl-2-(4-prop-2-enoylpiperazin-1-yl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide.

Molecular Properties

Compound NameN-propan-2-yl-2-(4-prop-2-enoylpiperazin-1-yl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide
PubChem CID118116294
Molecular FormulaC17H22N6O2
Molecular Weight342.40 g/mol
Exact Mass342.18
IUPAC NameN-propan-2-yl-2-(4-prop-2-enoylpiperazin-1-yl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide
SMILESC=CC(=O)N1CCN(c2cnc3[nH]cc(C(=O)NC(C)C)c3n2)CC1
InChIInChI=1S/C17H22N6O2/c1-4-14(24)23-7-5-22(6-8-23)13-10-19-16-15(21-13)12(9-18-16)17(25)20-11(2)3/h4,9-11H,1,5-8H2,2-3H3,(H,18,19)(H,20,25)
InChIKeyCJYSMRQEPCFHKJ-UHFFFAOYSA-N
XLogP0.93
TPSA94.22 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.40
LogP ≤ 50.93
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 N-propan-2-yl-2-(4-prop-2-enoylpiperazin-1-yl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide?
The IUPAC name of N-propan-2-yl-2-(4-prop-2-enoylpiperazin-1-yl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide (CID 118116294) is N-propan-2-yl-2-(4-prop-2-enoylpiperazin-1-yl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide.
What is the SMILES notation for N-propan-2-yl-2-(4-prop-2-enoylpiperazin-1-yl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide?
The canonical SMILES for N-propan-2-yl-2-(4-prop-2-enoylpiperazin-1-yl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide is C=CC(=O)N1CCN(c2cnc3[nH]cc(C(=O)NC(C)C)c3n2)CC1.
What is the InChIKey of N-propan-2-yl-2-(4-prop-2-enoylpiperazin-1-yl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide?
The InChIKey is CJYSMRQEPCFHKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N6O2/c1-4-14(24)23-7-5-22(6-8-23)13-10-19-16-15(21-13)12(9-18-16)17(25)20-11(2)3/h4,9-11H,1,5-8H2,2-3H3,(H,18,19)(H,20,25).
What are the key properties of N-propan-2-yl-2-(4-prop-2-enoylpiperazin-1-yl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide?
N-propan-2-yl-2-(4-prop-2-enoylpiperazin-1-yl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide has a molecular weight of 342.40 g/mol, XLogP of 0.93, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-propan-2-yl-2-(4-prop-2-enoylpiperazin-1-yl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide is sourced from PubChem (CID 118116294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).