3-methoxy-N-[6-(5-methyl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl)-2-pyridinyl]-1-(oxan-4-yl)pyrazole-4-carboxamide

C₂₂H₂₆N₆O₃ — CID 169493784

About 3-methoxy-N-[6-(5-methyl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl)-2-pyridinyl]-1-(oxan-4-yl)pyrazole-4-carboxamide

3-methoxy-N-[6-(5-methyl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl)-2-pyridinyl]-1-(oxan-4-yl)pyrazole-4-carboxamide (PubChem CID 169493784) has the molecular formula C₂₂H₂₆N₆O₃ and a molecular weight of 422.49 g/mol. Its IUPAC name is 3-methoxy-N-[6-(5-methyl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl)-2-pyridinyl]-1-(oxan-4-yl)pyrazole-4-carboxamide.

Molecular Properties

• Compound Name: 3-methoxy-N-[6-(5-methyl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl)-2-pyridinyl]-1-(oxan-4-yl)pyrazole-4-carboxamide
• PubChem CID: 169493784
• Molecular Formula: C₂₂H₂₆N₆O₃
• Molecular Weight: 422.49 g/mol
• Exact Mass: 422.21
• IUPAC Name: 3-methoxy-N-[6-(5-methyl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl)-2-pyridinyl]-1-(oxan-4-yl)pyrazole-4-carboxamide
• SMILES: COc1nn(C2CCOCC2)cc1C(=O)Nc1cccc(-c2cnc3n2C(C)CC3)n1
• InChI: InChI=1S/C22H26N6O3/c1-14-6-7-20-23-12-18(28(14)20)17-4-3-5-19(24-17)25-21(29)16-13-27(26-22(16)30-2)15-8-10-31-11-9-15/h3-5,12-15H,6-11H2,1-2H3,(H,24,25,29)
• InChIKey: WXSFRIHUQAQBLF-UHFFFAOYSA-N
• XLogP: 3.26
• TPSA: 96.09 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 5
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	422.49
LogP ≤ 5	3.26
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-N-[6-(5-methyl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl)-2-pyridinyl]-1-(oxan-4-yl)pyrazole-4-carboxamide?

The IUPAC name of 3-methoxy-N-[6-(5-methyl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl)-2-pyridinyl]-1-(oxan-4-yl)pyrazole-4-carboxamide (CID 169493784) is 3-methoxy-N-[6-(5-methyl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl)-2-pyridinyl]-1-(oxan-4-yl)pyrazole-4-carboxamide.

What is the SMILES notation for 3-methoxy-N-[6-(5-methyl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl)-2-pyridinyl]-1-(oxan-4-yl)pyrazole-4-carboxamide?

The canonical SMILES for 3-methoxy-N-[6-(5-methyl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl)-2-pyridinyl]-1-(oxan-4-yl)pyrazole-4-carboxamide is COc1nn(C2CCOCC2)cc1C(=O)Nc1cccc(-c2cnc3n2C(C)CC3)n1.

What is the InChIKey of 3-methoxy-N-[6-(5-methyl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl)-2-pyridinyl]-1-(oxan-4-yl)pyrazole-4-carboxamide?

The InChIKey is WXSFRIHUQAQBLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N6O3/c1-14-6-7-20-23-12-18(28(14)20)17-4-3-5-19(24-17)25-21(29)16-13-27(26-22(16)30-2)15-8-10-31-11-9-15/h3-5,12-15H,6-11H2,1-2H3,(H,24,25,29).

What are the key properties of 3-methoxy-N-[6-(5-methyl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl)-2-pyridinyl]-1-(oxan-4-yl)pyrazole-4-carboxamide?

3-methoxy-N-[6-(5-methyl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl)-2-pyridinyl]-1-(oxan-4-yl)pyrazole-4-carboxamide has a molecular weight of 422.49 g/mol, XLogP of 3.26, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 3-methoxy-N-[6-(5-methyl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl)-2-pyridinyl]-1-(oxan-4-yl)pyrazole-4-carboxamide is sourced from PubChem (CID 169493784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 169493784 — identifiers, structure, computed properties (public domain)

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