2-[3-[methyl(prop-2-enoyl)amino]azetidin-1-yl]-N-propan-2-yl-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide

C17H22N6O2 — CID 118115894

About 2-[3-[methyl(prop-2-enoyl)amino]azetidin-1-yl]-N-propan-2-yl-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide

2-[3-[methyl(prop-2-enoyl)amino]azetidin-1-yl]-N-propan-2-yl-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide (PubChem CID 118115894) has the molecular formula C17H22N6O2 and a molecular weight of 342.40 g/mol. Its IUPAC name is 2-[3-[methyl(prop-2-enoyl)amino]azetidin-1-yl]-N-propan-2-yl-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide.

Molecular Properties

• Compound Name: 2-[3-[methyl(prop-2-enoyl)amino]azetidin-1-yl]-N-propan-2-yl-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide
• PubChem CID: 118115894
• Molecular Formula: C17H22N6O2
• Molecular Weight: 342.40 g/mol
• Exact Mass: 342.18
• IUPAC Name: 2-[3-[methyl(prop-2-enoyl)amino]azetidin-1-yl]-N-propan-2-yl-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide
• SMILES: C=CC(=O)N(C)C1CN(c2cnc3[nH]cc(C(=O)NC(C)C)c3n2)C1
• InChI: InChI=1S/C17H22N6O2/c1-5-14(24)22(4)11-8-23(9-11)13-7-19-16-15(21-13)12(6-18-16)17(25)20-10(2)3/h5-7,10-11H,1,8-9H2,2-4H3,(H,18,19)(H,20,25)
• InChIKey: FNPSAGHCZUKVOE-UHFFFAOYSA-N
• XLogP: 0.93
• TPSA: 94.22 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 25
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	342.40
LogP ≤ 5	0.93
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-[3-[methyl(prop-2-enoyl)amino]azetidin-1-yl]-N-propan-2-yl-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide?

The IUPAC name of 2-[3-[methyl(prop-2-enoyl)amino]azetidin-1-yl]-N-propan-2-yl-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide (CID 118115894) is 2-[3-[methyl(prop-2-enoyl)amino]azetidin-1-yl]-N-propan-2-yl-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide.

What is the SMILES notation for 2-[3-[methyl(prop-2-enoyl)amino]azetidin-1-yl]-N-propan-2-yl-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide?

The canonical SMILES for 2-[3-[methyl(prop-2-enoyl)amino]azetidin-1-yl]-N-propan-2-yl-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide is C=CC(=O)N(C)C1CN(c2cnc3[nH]cc(C(=O)NC(C)C)c3n2)C1.

What is the InChIKey of 2-[3-[methyl(prop-2-enoyl)amino]azetidin-1-yl]-N-propan-2-yl-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide?

The InChIKey is FNPSAGHCZUKVOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N6O2/c1-5-14(24)22(4)11-8-23(9-11)13-7-19-16-15(21-13)12(6-18-16)17(25)20-10(2)3/h5-7,10-11H,1,8-9H2,2-4H3,(H,18,19)(H,20,25).

What are the key properties of 2-[3-[methyl(prop-2-enoyl)amino]azetidin-1-yl]-N-propan-2-yl-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide?

2-[3-[methyl(prop-2-enoyl)amino]azetidin-1-yl]-N-propan-2-yl-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide has a molecular weight of 342.40 g/mol, XLogP of 0.93, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[3-[methyl(prop-2-enoyl)amino]azetidin-1-yl]-N-propan-2-yl-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide is sourced from PubChem (CID 118115894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).