1-[3-(3,5-dimethylpyrazol-1-yl)azetidin-1-yl]-4-[3-(1-methoxypropan-2-yl)imidazo[4,5-b]pyridin-2-yl]butan-1-one

C22H30N6O2 — CID 70764041

About 1-[3-(3,5-dimethylpyrazol-1-yl)azetidin-1-yl]-4-[3-(1-methoxypropan-2-yl)imidazo[4,5-b]pyridin-2-yl]butan-1-one

1-[3-(3,5-dimethylpyrazol-1-yl)azetidin-1-yl]-4-[3-(1-methoxypropan-2-yl)imidazo[4,5-b]pyridin-2-yl]butan-1-one (PubChem CID 70764041) has the molecular formula C22H30N6O2 and a molecular weight of 410.52 g/mol. Its IUPAC name is 1-[3-(3,5-dimethylpyrazol-1-yl)azetidin-1-yl]-4-[3-(1-methoxypropan-2-yl)imidazo[4,5-b]pyridin-2-yl]butan-1-one.

Molecular Properties

• Compound Name: 1-[3-(3,5-dimethylpyrazol-1-yl)azetidin-1-yl]-4-[3-(1-methoxypropan-2-yl)imidazo[4,5-b]pyridin-2-yl]butan-1-one
• PubChem CID: 70764041
• Molecular Formula: C22H30N6O2
• Molecular Weight: 410.52 g/mol
• Exact Mass: 410.24
• IUPAC Name: 1-[3-(3,5-dimethylpyrazol-1-yl)azetidin-1-yl]-4-[3-(1-methoxypropan-2-yl)imidazo[4,5-b]pyridin-2-yl]butan-1-one
• SMILES: COCC(C)n1c(CCCC(=O)N2CC(n3nc(C)cc3C)C2)nc2cccnc21
• InChI: InChI=1S/C22H30N6O2/c1-15-11-16(2)28(25-15)18-12-26(13-18)21(29)9-5-8-20-24-19-7-6-10-23-22(19)27(20)17(3)14-30-4/h6-7,10-11,17-18H,5,8-9,12-14H2,1-4H3
• InChIKey: SOJMSYPVMNQQCE-UHFFFAOYSA-N
• XLogP: 2.86
• TPSA: 78.07 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 8
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	410.52
LogP ≤ 5	2.86
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 1-[3-(3,5-dimethylpyrazol-1-yl)azetidin-1-yl]-4-[3-(1-methoxypropan-2-yl)imidazo[4,5-b]pyridin-2-yl]butan-1-one?

The IUPAC name of 1-[3-(3,5-dimethylpyrazol-1-yl)azetidin-1-yl]-4-[3-(1-methoxypropan-2-yl)imidazo[4,5-b]pyridin-2-yl]butan-1-one (CID 70764041) is 1-[3-(3,5-dimethylpyrazol-1-yl)azetidin-1-yl]-4-[3-(1-methoxypropan-2-yl)imidazo[4,5-b]pyridin-2-yl]butan-1-one.

What is the SMILES notation for 1-[3-(3,5-dimethylpyrazol-1-yl)azetidin-1-yl]-4-[3-(1-methoxypropan-2-yl)imidazo[4,5-b]pyridin-2-yl]butan-1-one?

The canonical SMILES for 1-[3-(3,5-dimethylpyrazol-1-yl)azetidin-1-yl]-4-[3-(1-methoxypropan-2-yl)imidazo[4,5-b]pyridin-2-yl]butan-1-one is COCC(C)n1c(CCCC(=O)N2CC(n3nc(C)cc3C)C2)nc2cccnc21.

What is the InChIKey of 1-[3-(3,5-dimethylpyrazol-1-yl)azetidin-1-yl]-4-[3-(1-methoxypropan-2-yl)imidazo[4,5-b]pyridin-2-yl]butan-1-one?

The InChIKey is SOJMSYPVMNQQCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30N6O2/c1-15-11-16(2)28(25-15)18-12-26(13-18)21(29)9-5-8-20-24-19-7-6-10-23-22(19)27(20)17(3)14-30-4/h6-7,10-11,17-18H,5,8-9,12-14H2,1-4H3.

What are the key properties of 1-[3-(3,5-dimethylpyrazol-1-yl)azetidin-1-yl]-4-[3-(1-methoxypropan-2-yl)imidazo[4,5-b]pyridin-2-yl]butan-1-one?

1-[3-(3,5-dimethylpyrazol-1-yl)azetidin-1-yl]-4-[3-(1-methoxypropan-2-yl)imidazo[4,5-b]pyridin-2-yl]butan-1-one has a molecular weight of 410.52 g/mol, XLogP of 2.86, 8 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[3-(3,5-dimethylpyrazol-1-yl)azetidin-1-yl]-4-[3-(1-methoxypropan-2-yl)imidazo[4,5-b]pyridin-2-yl]butan-1-one is sourced from PubChem (CID 70764041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).