1-[6-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]-N-[(2-propan-2-yloxy-3-pyridinyl)methyl]azetidine-3-carboxamide

C22H27N7O2 — CID 121169139

About 1-[6-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]-N-[(2-propan-2-yloxy-3-pyridinyl)methyl]azetidine-3-carboxamide

1-[6-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]-N-[(2-propan-2-yloxy-3-pyridinyl)methyl]azetidine-3-carboxamide (PubChem CID 121169139) has the molecular formula C22H27N7O2 and a molecular weight of 421.51 g/mol. Its IUPAC name is 1-[6-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]-N-[(2-propan-2-yloxy-3-pyridinyl)methyl]azetidine-3-carboxamide.

Molecular Properties

• Compound Name: 1-[6-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]-N-[(2-propan-2-yloxy-3-pyridinyl)methyl]azetidine-3-carboxamide
• PubChem CID: 121169139
• Molecular Formula: C22H27N7O2
• Molecular Weight: 421.51 g/mol
• Exact Mass: 421.22
• IUPAC Name: 1-[6-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]-N-[(2-propan-2-yloxy-3-pyridinyl)methyl]azetidine-3-carboxamide
• SMILES: Cc1cc(C)n(-c2cc(N3CC(C(=O)NCc4cccnc4OC(C)C)C3)ncn2)n1
• InChI: InChI=1S/C22H27N7O2/c1-14(2)31-22-17(6-5-7-23-22)10-24-21(30)18-11-28(12-18)19-9-20(26-13-25-19)29-16(4)8-15(3)27-29/h5-9,13-14,18H,10-12H2,1-4H3,(H,24,30)
• InChIKey: XEUFFSISENQLGX-UHFFFAOYSA-N
• XLogP: 2.21
• TPSA: 98.06 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 7
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	421.51
LogP ≤ 5	2.21
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 1-[6-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]-N-[(2-propan-2-yloxy-3-pyridinyl)methyl]azetidine-3-carboxamide?

The IUPAC name of 1-[6-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]-N-[(2-propan-2-yloxy-3-pyridinyl)methyl]azetidine-3-carboxamide (CID 121169139) is 1-[6-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]-N-[(2-propan-2-yloxy-3-pyridinyl)methyl]azetidine-3-carboxamide.

What is the SMILES notation for 1-[6-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]-N-[(2-propan-2-yloxy-3-pyridinyl)methyl]azetidine-3-carboxamide?

The canonical SMILES for 1-[6-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]-N-[(2-propan-2-yloxy-3-pyridinyl)methyl]azetidine-3-carboxamide is Cc1cc(C)n(-c2cc(N3CC(C(=O)NCc4cccnc4OC(C)C)C3)ncn2)n1.

What is the InChIKey of 1-[6-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]-N-[(2-propan-2-yloxy-3-pyridinyl)methyl]azetidine-3-carboxamide?

The InChIKey is XEUFFSISENQLGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N7O2/c1-14(2)31-22-17(6-5-7-23-22)10-24-21(30)18-11-28(12-18)19-9-20(26-13-25-19)29-16(4)8-15(3)27-29/h5-9,13-14,18H,10-12H2,1-4H3,(H,24,30).

What are the key properties of 1-[6-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]-N-[(2-propan-2-yloxy-3-pyridinyl)methyl]azetidine-3-carboxamide?

1-[6-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]-N-[(2-propan-2-yloxy-3-pyridinyl)methyl]azetidine-3-carboxamide has a molecular weight of 421.51 g/mol, XLogP of 2.21, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[6-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]-N-[(2-propan-2-yloxy-3-pyridinyl)methyl]azetidine-3-carboxamide is sourced from PubChem (CID 121169139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).