N-[(1R,2R)-2-methylcyclopropyl]-2-[(2-methyl-1-prop-2-enoylpiperidin-4-yl)methyl]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide

C21H27N5O2 — CID 158302339

About N-[(1R,2R)-2-methylcyclopropyl]-2-[(2-methyl-1-prop-2-enoylpiperidin-4-yl)methyl]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide

N-[(1R,2R)-2-methylcyclopropyl]-2-[(2-methyl-1-prop-2-enoylpiperidin-4-yl)methyl]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide (PubChem CID 158302339) has the molecular formula C21H27N5O2 and a molecular weight of 381.48 g/mol. Its IUPAC name is N-[(1R,2R)-2-methylcyclopropyl]-2-[(2-methyl-1-prop-2-enoylpiperidin-4-yl)methyl]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide.

Molecular Properties

• Compound Name: N-[(1R,2R)-2-methylcyclopropyl]-2-[(2-methyl-1-prop-2-enoylpiperidin-4-yl)methyl]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide
• PubChem CID: 158302339
• Molecular Formula: C21H27N5O2
• Molecular Weight: 381.48 g/mol
• Exact Mass: 381.22
• IUPAC Name: N-[(1R,2R)-2-methylcyclopropyl]-2-[(2-methyl-1-prop-2-enoylpiperidin-4-yl)methyl]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide
• SMILES: C=CC(=O)N1CCC(Cc2cnc3[nH]cc(C(=O)N[C@@H]4C[C@H]4C)c3n2)CC1C
• InChI: InChI=1S/C21H27N5O2/c1-4-18(27)26-6-5-14(8-13(26)3)9-15-10-22-20-19(24-15)16(11-23-20)21(28)25-17-7-12(17)2/h4,10-14,17H,1,5-9H2,2-3H3,(H,22,23)(H,25,28)/t12-,13?,14?,17-/m1/s1
• InChIKey: GMQLKZGFJGUUPP-QROZZAMVSA-N
• XLogP: 2.45
• TPSA: 90.98 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 4
• Rotatable Bonds: 5
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	381.48
LogP ≤ 5	2.45
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-[(1R,2R)-2-methylcyclopropyl]-2-[(2-methyl-1-prop-2-enoylpiperidin-4-yl)methyl]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide?

The IUPAC name of N-[(1R,2R)-2-methylcyclopropyl]-2-[(2-methyl-1-prop-2-enoylpiperidin-4-yl)methyl]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide (CID 158302339) is N-[(1R,2R)-2-methylcyclopropyl]-2-[(2-methyl-1-prop-2-enoylpiperidin-4-yl)methyl]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide.

What is the SMILES notation for N-[(1R,2R)-2-methylcyclopropyl]-2-[(2-methyl-1-prop-2-enoylpiperidin-4-yl)methyl]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide?

The canonical SMILES for N-[(1R,2R)-2-methylcyclopropyl]-2-[(2-methyl-1-prop-2-enoylpiperidin-4-yl)methyl]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide is C=CC(=O)N1CCC(Cc2cnc3[nH]cc(C(=O)N[C@@H]4C[C@H]4C)c3n2)CC1C.

What is the InChIKey of N-[(1R,2R)-2-methylcyclopropyl]-2-[(2-methyl-1-prop-2-enoylpiperidin-4-yl)methyl]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide?

The InChIKey is GMQLKZGFJGUUPP-QROZZAMVSA-N. The full InChI is InChI=1S/C21H27N5O2/c1-4-18(27)26-6-5-14(8-13(26)3)9-15-10-22-20-19(24-15)16(11-23-20)21(28)25-17-7-12(17)2/h4,10-14,17H,1,5-9H2,2-3H3,(H,22,23)(H,25,28)/t12-,13?,14?,17-/m1/s1.

What are the key properties of N-[(1R,2R)-2-methylcyclopropyl]-2-[(2-methyl-1-prop-2-enoylpiperidin-4-yl)methyl]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide?

N-[(1R,2R)-2-methylcyclopropyl]-2-[(2-methyl-1-prop-2-enoylpiperidin-4-yl)methyl]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide has a molecular weight of 381.48 g/mol, XLogP of 2.45, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(1R,2R)-2-methylcyclopropyl]-2-[(2-methyl-1-prop-2-enoylpiperidin-4-yl)methyl]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide is sourced from PubChem (CID 158302339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).