5-(1-methylcyclopropyl)oxy-3-[6-[3-(1-methylpyrazol-4-yl)azetidin-1-yl]pyrimidin-4-yl]-1H-indazole

C22H23N7O — CID 78320512

About 5-(1-methylcyclopropyl)oxy-3-[6-[3-(1-methylpyrazol-4-yl)azetidin-1-yl]pyrimidin-4-yl]-1H-indazole

5-(1-methylcyclopropyl)oxy-3-[6-[3-(1-methylpyrazol-4-yl)azetidin-1-yl]pyrimidin-4-yl]-1H-indazole (PubChem CID 78320512) has the molecular formula C22H23N7O and a molecular weight of 401.47 g/mol. Its IUPAC name is 5-(1-methylcyclopropyl)oxy-3-[6-[3-(1-methylpyrazol-4-yl)azetidin-1-yl]pyrimidin-4-yl]-1H-indazole.

Molecular Properties

• Compound Name: 5-(1-methylcyclopropyl)oxy-3-[6-[3-(1-methylpyrazol-4-yl)azetidin-1-yl]pyrimidin-4-yl]-1H-indazole
• PubChem CID: 78320512
• Molecular Formula: C22H23N7O
• Molecular Weight: 401.47 g/mol
• Exact Mass: 401.20
• IUPAC Name: 5-(1-methylcyclopropyl)oxy-3-[6-[3-(1-methylpyrazol-4-yl)azetidin-1-yl]pyrimidin-4-yl]-1H-indazole
• SMILES: Cn1cc(C2CN(c3cc(-c4n[nH]c5ccc(OC6(C)CC6)cc45)ncn3)C2)cn1
• InChI: InChI=1S/C22H23N7O/c1-22(5-6-22)30-16-3-4-18-17(7-16)21(27-26-18)19-8-20(24-13-23-19)29-11-15(12-29)14-9-25-28(2)10-14/h3-4,7-10,13,15H,5-6,11-12H2,1-2H3,(H,26,27)
• InChIKey: SIFUUFHJJMRXSH-UHFFFAOYSA-N
• XLogP: 3.29
• TPSA: 84.75 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 5
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	401.47
LogP ≤ 5	3.29
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 5-(1-methylcyclopropyl)oxy-3-[6-[3-(1-methylpyrazol-4-yl)azetidin-1-yl]pyrimidin-4-yl]-1H-indazole?

The IUPAC name of 5-(1-methylcyclopropyl)oxy-3-[6-[3-(1-methylpyrazol-4-yl)azetidin-1-yl]pyrimidin-4-yl]-1H-indazole (CID 78320512) is 5-(1-methylcyclopropyl)oxy-3-[6-[3-(1-methylpyrazol-4-yl)azetidin-1-yl]pyrimidin-4-yl]-1H-indazole.

What is the SMILES notation for 5-(1-methylcyclopropyl)oxy-3-[6-[3-(1-methylpyrazol-4-yl)azetidin-1-yl]pyrimidin-4-yl]-1H-indazole?

The canonical SMILES for 5-(1-methylcyclopropyl)oxy-3-[6-[3-(1-methylpyrazol-4-yl)azetidin-1-yl]pyrimidin-4-yl]-1H-indazole is Cn1cc(C2CN(c3cc(-c4n[nH]c5ccc(OC6(C)CC6)cc45)ncn3)C2)cn1.

What is the InChIKey of 5-(1-methylcyclopropyl)oxy-3-[6-[3-(1-methylpyrazol-4-yl)azetidin-1-yl]pyrimidin-4-yl]-1H-indazole?

The InChIKey is SIFUUFHJJMRXSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N7O/c1-22(5-6-22)30-16-3-4-18-17(7-16)21(27-26-18)19-8-20(24-13-23-19)29-11-15(12-29)14-9-25-28(2)10-14/h3-4,7-10,13,15H,5-6,11-12H2,1-2H3,(H,26,27).

What are the key properties of 5-(1-methylcyclopropyl)oxy-3-[6-[3-(1-methylpyrazol-4-yl)azetidin-1-yl]pyrimidin-4-yl]-1H-indazole?

5-(1-methylcyclopropyl)oxy-3-[6-[3-(1-methylpyrazol-4-yl)azetidin-1-yl]pyrimidin-4-yl]-1H-indazole has a molecular weight of 401.47 g/mol, XLogP of 3.29, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 5-(1-methylcyclopropyl)oxy-3-[6-[3-(1-methylpyrazol-4-yl)azetidin-1-yl]pyrimidin-4-yl]-1H-indazole is sourced from PubChem (CID 78320512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).