4-[6-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-2-[(4,7-difluoro-2-methyl-1H-indol-5-yl)oxy]pyrimidin-4-yl]piperazin-2-ol

C23H24F2N8O2 — CID 123980031

About 4-[6-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-2-[(4,7-difluoro-2-methyl-1H-indol-5-yl)oxy]pyrimidin-4-yl]piperazin-2-ol

4-[6-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-2-[(4,7-difluoro-2-methyl-1H-indol-5-yl)oxy]pyrimidin-4-yl]piperazin-2-ol (PubChem CID 123980031) has the molecular formula C23H24F2N8O2 and a molecular weight of 482.50 g/mol. Its IUPAC name is 4-[6-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-2-[(4,7-difluoro-2-methyl-1H-indol-5-yl)oxy]pyrimidin-4-yl]piperazin-2-ol.

Molecular Properties

• Compound Name: 4-[6-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-2-[(4,7-difluoro-2-methyl-1H-indol-5-yl)oxy]pyrimidin-4-yl]piperazin-2-ol
• PubChem CID: 123980031
• Molecular Formula: C23H24F2N8O2
• Molecular Weight: 482.50 g/mol
• Exact Mass: 482.20
• IUPAC Name: 4-[6-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-2-[(4,7-difluoro-2-methyl-1H-indol-5-yl)oxy]pyrimidin-4-yl]piperazin-2-ol
• SMILES: Cc1cc2c(F)c(Oc3nc(Nc4cc(C5CC5)[nH]n4)cc(N4CCNC(O)C4)n3)cc(F)c2[nH]1
• InChI: InChI=1S/C23H24F2N8O2/c1-11-6-13-21(25)16(7-14(24)22(13)27-11)35-23-29-17(28-18-8-15(31-32-18)12-2-3-12)9-19(30-23)33-5-4-26-20(34)10-33/h6-9,12,20,26-27,34H,2-5,10H2,1H3,(H2,28,29,30,31,32)
• InChIKey: OGRHZLNITQMEBG-UHFFFAOYSA-N
• XLogP: 3.41
• TPSA: 127.01 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 8
• Rotatable Bonds: 6
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	482.50
LogP ≤ 5	3.41
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 4-[6-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-2-[(4,7-difluoro-2-methyl-1H-indol-5-yl)oxy]pyrimidin-4-yl]piperazin-2-ol?

The IUPAC name of 4-[6-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-2-[(4,7-difluoro-2-methyl-1H-indol-5-yl)oxy]pyrimidin-4-yl]piperazin-2-ol (CID 123980031) is 4-[6-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-2-[(4,7-difluoro-2-methyl-1H-indol-5-yl)oxy]pyrimidin-4-yl]piperazin-2-ol.

What is the SMILES notation for 4-[6-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-2-[(4,7-difluoro-2-methyl-1H-indol-5-yl)oxy]pyrimidin-4-yl]piperazin-2-ol?

The canonical SMILES for 4-[6-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-2-[(4,7-difluoro-2-methyl-1H-indol-5-yl)oxy]pyrimidin-4-yl]piperazin-2-ol is Cc1cc2c(F)c(Oc3nc(Nc4cc(C5CC5)[nH]n4)cc(N4CCNC(O)C4)n3)cc(F)c2[nH]1.

What is the InChIKey of 4-[6-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-2-[(4,7-difluoro-2-methyl-1H-indol-5-yl)oxy]pyrimidin-4-yl]piperazin-2-ol?

The InChIKey is OGRHZLNITQMEBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24F2N8O2/c1-11-6-13-21(25)16(7-14(24)22(13)27-11)35-23-29-17(28-18-8-15(31-32-18)12-2-3-12)9-19(30-23)33-5-4-26-20(34)10-33/h6-9,12,20,26-27,34H,2-5,10H2,1H3,(H2,28,29,30,31,32).

What are the key properties of 4-[6-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-2-[(4,7-difluoro-2-methyl-1H-indol-5-yl)oxy]pyrimidin-4-yl]piperazin-2-ol?

4-[6-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-2-[(4,7-difluoro-2-methyl-1H-indol-5-yl)oxy]pyrimidin-4-yl]piperazin-2-ol has a molecular weight of 482.50 g/mol, XLogP of 3.41, 6 rotatable bonds, 5 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[6-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-2-[(4,7-difluoro-2-methyl-1H-indol-5-yl)oxy]pyrimidin-4-yl]piperazin-2-ol is sourced from PubChem (CID 123980031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).