6-fluoro-3-[6-[4-[(4-fluoropiperidin-4-yl)methyl]piperidin-1-yl]pyrimidin-4-yl]-5-(1-methylcyclopropyl)oxy-1H-indazole

C26H32F2N6O — CID 165138051

About 6-fluoro-3-[6-[4-[(4-fluoropiperidin-4-yl)methyl]piperidin-1-yl]pyrimidin-4-yl]-5-(1-methylcyclopropyl)oxy-1H-indazole

6-fluoro-3-[6-[4-[(4-fluoropiperidin-4-yl)methyl]piperidin-1-yl]pyrimidin-4-yl]-5-(1-methylcyclopropyl)oxy-1H-indazole (PubChem CID 165138051) has the molecular formula C26H32F2N6O and a molecular weight of 482.58 g/mol. Its IUPAC name is 6-fluoro-3-[6-[4-[(4-fluoropiperidin-4-yl)methyl]piperidin-1-yl]pyrimidin-4-yl]-5-(1-methylcyclopropyl)oxy-1H-indazole.

Molecular Properties

• Compound Name: 6-fluoro-3-[6-[4-[(4-fluoropiperidin-4-yl)methyl]piperidin-1-yl]pyrimidin-4-yl]-5-(1-methylcyclopropyl)oxy-1H-indazole
• PubChem CID: 165138051
• Molecular Formula: C26H32F2N6O
• Molecular Weight: 482.58 g/mol
• Exact Mass: 482.26
• IUPAC Name: 6-fluoro-3-[6-[4-[(4-fluoropiperidin-4-yl)methyl]piperidin-1-yl]pyrimidin-4-yl]-5-(1-methylcyclopropyl)oxy-1H-indazole
• SMILES: CC1(Oc2cc3c(-c4cc(N5CCC(CC6(F)CCNCC6)CC5)ncn4)n[nH]c3cc2F)CC1
• InChI: InChI=1S/C26H32F2N6O/c1-25(4-5-25)35-22-12-18-20(13-19(22)27)32-33-24(18)21-14-23(31-16-30-21)34-10-2-17(3-11-34)15-26(28)6-8-29-9-7-26/h12-14,16-17,29H,2-11,15H2,1H3,(H,32,33)
• InChIKey: RSBVLJDZQBTXGP-UHFFFAOYSA-N
• XLogP: 4.79
• TPSA: 78.96 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	482.58
LogP ≤ 5	4.79
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 6-fluoro-3-[6-[4-[(4-fluoropiperidin-4-yl)methyl]piperidin-1-yl]pyrimidin-4-yl]-5-(1-methylcyclopropyl)oxy-1H-indazole?

The IUPAC name of 6-fluoro-3-[6-[4-[(4-fluoropiperidin-4-yl)methyl]piperidin-1-yl]pyrimidin-4-yl]-5-(1-methylcyclopropyl)oxy-1H-indazole (CID 165138051) is 6-fluoro-3-[6-[4-[(4-fluoropiperidin-4-yl)methyl]piperidin-1-yl]pyrimidin-4-yl]-5-(1-methylcyclopropyl)oxy-1H-indazole.

What is the SMILES notation for 6-fluoro-3-[6-[4-[(4-fluoropiperidin-4-yl)methyl]piperidin-1-yl]pyrimidin-4-yl]-5-(1-methylcyclopropyl)oxy-1H-indazole?

The canonical SMILES for 6-fluoro-3-[6-[4-[(4-fluoropiperidin-4-yl)methyl]piperidin-1-yl]pyrimidin-4-yl]-5-(1-methylcyclopropyl)oxy-1H-indazole is CC1(Oc2cc3c(-c4cc(N5CCC(CC6(F)CCNCC6)CC5)ncn4)n[nH]c3cc2F)CC1.

What is the InChIKey of 6-fluoro-3-[6-[4-[(4-fluoropiperidin-4-yl)methyl]piperidin-1-yl]pyrimidin-4-yl]-5-(1-methylcyclopropyl)oxy-1H-indazole?

The InChIKey is RSBVLJDZQBTXGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H32F2N6O/c1-25(4-5-25)35-22-12-18-20(13-19(22)27)32-33-24(18)21-14-23(31-16-30-21)34-10-2-17(3-11-34)15-26(28)6-8-29-9-7-26/h12-14,16-17,29H,2-11,15H2,1H3,(H,32,33).

What are the key properties of 6-fluoro-3-[6-[4-[(4-fluoropiperidin-4-yl)methyl]piperidin-1-yl]pyrimidin-4-yl]-5-(1-methylcyclopropyl)oxy-1H-indazole?

6-fluoro-3-[6-[4-[(4-fluoropiperidin-4-yl)methyl]piperidin-1-yl]pyrimidin-4-yl]-5-(1-methylcyclopropyl)oxy-1H-indazole has a molecular weight of 482.58 g/mol, XLogP of 4.79, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 6-fluoro-3-[6-[4-[(4-fluoropiperidin-4-yl)methyl]piperidin-1-yl]pyrimidin-4-yl]-5-(1-methylcyclopropyl)oxy-1H-indazole is sourced from PubChem (CID 165138051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).