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

C20H26N6O2 — CID 118135183

IUPAC2-[(2R)-2-cyclopropyl-4-prop-2-enoylpiperazin-1-yl]-N-propan-2-yl-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide
SMILESC=CC(=O)N1CCN(c2cnc3[nH]cc(C(=O)NC(C)C)c3n2)[C@H](C2CC2)C1
InChIInChI=1S/C20H26N6O2/c1-4-17(27)25-7-8-26(15(11-25)13-5-6-13)16-10-22-19-18(24-16)14(9-21-19)20(28)23-12(2)3/h4,9-10,12-13,15H,1,5-8,11H2,2-3H3,(H,21,22)(H,23,28)/t15-/m0/s1
InChIKeyBVQLYMITAYXVLX-HNNXBMFYSA-N
MW382.47 g/mol
LogP1.71
Rot. Bonds5

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

2-[(2R)-2-cyclopropyl-4-prop-2-enoylpiperazin-1-yl]-N-propan-2-yl-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide (PubChem CID 118135183) has the molecular formula C20H26N6O2 and a molecular weight of 382.47 g/mol. Its IUPAC name is 2-[(2R)-2-cyclopropyl-4-prop-2-enoylpiperazin-1-yl]-N-propan-2-yl-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide.

Molecular Properties

Compound Name2-[(2R)-2-cyclopropyl-4-prop-2-enoylpiperazin-1-yl]-N-propan-2-yl-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide
PubChem CID118135183
Molecular FormulaC20H26N6O2
Molecular Weight382.47 g/mol
Exact Mass382.21
IUPAC Name2-[(2R)-2-cyclopropyl-4-prop-2-enoylpiperazin-1-yl]-N-propan-2-yl-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide
SMILESC=CC(=O)N1CCN(c2cnc3[nH]cc(C(=O)NC(C)C)c3n2)[C@H](C2CC2)C1
InChIInChI=1S/C20H26N6O2/c1-4-17(27)25-7-8-26(15(11-25)13-5-6-13)16-10-22-19-18(24-16)14(9-21-19)20(28)23-12(2)3/h4,9-10,12-13,15H,1,5-8,11H2,2-3H3,(H,21,22)(H,23,28)/t15-/m0/s1
InChIKeyBVQLYMITAYXVLX-HNNXBMFYSA-N
XLogP1.71
TPSA94.22 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.47
LogP ≤ 51.71
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 2-[(2R)-2-cyclopropyl-4-prop-2-enoylpiperazin-1-yl]-N-propan-2-yl-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide?
The IUPAC name of 2-[(2R)-2-cyclopropyl-4-prop-2-enoylpiperazin-1-yl]-N-propan-2-yl-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide (CID 118135183) is 2-[(2R)-2-cyclopropyl-4-prop-2-enoylpiperazin-1-yl]-N-propan-2-yl-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide.
What is the SMILES notation for 2-[(2R)-2-cyclopropyl-4-prop-2-enoylpiperazin-1-yl]-N-propan-2-yl-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide?
The canonical SMILES for 2-[(2R)-2-cyclopropyl-4-prop-2-enoylpiperazin-1-yl]-N-propan-2-yl-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide is C=CC(=O)N1CCN(c2cnc3[nH]cc(C(=O)NC(C)C)c3n2)[C@H](C2CC2)C1.
What is the InChIKey of 2-[(2R)-2-cyclopropyl-4-prop-2-enoylpiperazin-1-yl]-N-propan-2-yl-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide?
The InChIKey is BVQLYMITAYXVLX-HNNXBMFYSA-N. The full InChI is InChI=1S/C20H26N6O2/c1-4-17(27)25-7-8-26(15(11-25)13-5-6-13)16-10-22-19-18(24-16)14(9-21-19)20(28)23-12(2)3/h4,9-10,12-13,15H,1,5-8,11H2,2-3H3,(H,21,22)(H,23,28)/t15-/m0/s1.
What are the key properties of 2-[(2R)-2-cyclopropyl-4-prop-2-enoylpiperazin-1-yl]-N-propan-2-yl-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide?
2-[(2R)-2-cyclopropyl-4-prop-2-enoylpiperazin-1-yl]-N-propan-2-yl-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide has a molecular weight of 382.47 g/mol, XLogP of 1.71, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2R)-2-cyclopropyl-4-prop-2-enoylpiperazin-1-yl]-N-propan-2-yl-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide is sourced from PubChem (CID 118135183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).