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

IUPAC3-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
SMILESCOc1nn(C2CCOCC2)cc1C(=O)Nc1cccc(-c2cnc3n2C(C)CC3)n1
InChIInChI=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)
InChIKeyWXSFRIHUQAQBLF-UHFFFAOYSA-N
MW422.49 g/mol
LogP3.26
Rot. Bonds5

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 Name3-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 CID169493784
Molecular FormulaC22H26N6O3
Molecular Weight422.49 g/mol
Exact Mass422.21
IUPAC Name3-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
SMILESCOc1nn(C2CCOCC2)cc1C(=O)Nc1cccc(-c2cnc3n2C(C)CC3)n1
InChIInChI=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)
InChIKeyWXSFRIHUQAQBLF-UHFFFAOYSA-N
XLogP3.26
TPSA96.09 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.49
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 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 with MolForge

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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).