(6R)-1',1'-difluoro-3-(5-fluoro-3,6-dimethyl-2H-pyrazolo[3,4-b]pyridin-4-yl)-2-(5-fluoro-2-pyridinyl)spiro[5,7-dihydro-4H-pyrazolo[1,5-a]pyridine-6,2'-cyclopropane]

C22H18F4N6 — CID 169305984

About (6R)-1',1'-difluoro-3-(5-fluoro-3,6-dimethyl-2H-pyrazolo[3,4-b]pyridin-4-yl)-2-(5-fluoro-2-pyridinyl)spiro[5,7-dihydro-4H-pyrazolo[1,5-a]pyridine-6,2'-cyclopropane]

(6R)-1',1'-difluoro-3-(5-fluoro-3,6-dimethyl-2H-pyrazolo[3,4-b]pyridin-4-yl)-2-(5-fluoro-2-pyridinyl)spiro[5,7-dihydro-4H-pyrazolo[1,5-a]pyridine-6,2'-cyclopropane] (PubChem CID 169305984) has the molecular formula C22H18F4N6 and a molecular weight of 442.42 g/mol. Its IUPAC name is (6R)-1',1'-difluoro-3-(5-fluoro-3,6-dimethyl-2H-pyrazolo[3,4-b]pyridin-4-yl)-2-(5-fluoro-2-pyridinyl)spiro[5,7-dihydro-4H-pyrazolo[1,5-a]pyridine-6,2'-cyclopropane].

Molecular Properties

• Compound Name: (6R)-1',1'-difluoro-3-(5-fluoro-3,6-dimethyl-2H-pyrazolo[3,4-b]pyridin-4-yl)-2-(5-fluoro-2-pyridinyl)spiro[5,7-dihydro-4H-pyrazolo[1,5-a]pyridine-6,2'-cyclopropane]
• PubChem CID: 169305984
• Molecular Formula: C22H18F4N6
• Molecular Weight: 442.42 g/mol
• Exact Mass: 442.15
• IUPAC Name: (6R)-1',1'-difluoro-3-(5-fluoro-3,6-dimethyl-2H-pyrazolo[3,4-b]pyridin-4-yl)-2-(5-fluoro-2-pyridinyl)spiro[5,7-dihydro-4H-pyrazolo[1,5-a]pyridine-6,2'-cyclopropane]
• SMILES: Cc1nc2n[nH]c(C)c2c(-c2c(-c3ccc(F)cn3)nn3c2CC[C@]2(C3)CC2(F)F)c1F
• InChI: InChI=1S/C22H18F4N6/c1-10-15-17(18(24)11(2)28-20(15)30-29-10)16-14-5-6-21(8-22(21,25)26)9-32(14)31-19(16)13-4-3-12(23)7-27-13/h3-4,7H,5-6,8-9H2,1-2H3,(H,28,29,30)/t21-/m1/s1
• InChIKey: RVGCWBDWEAGWDE-OAQYLSRUSA-N
• XLogP: 4.75
• TPSA: 72.28 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 2
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	442.42
LogP ≤ 5	4.75
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of (6R)-1',1'-difluoro-3-(5-fluoro-3,6-dimethyl-2H-pyrazolo[3,4-b]pyridin-4-yl)-2-(5-fluoro-2-pyridinyl)spiro[5,7-dihydro-4H-pyrazolo[1,5-a]pyridine-6,2'-cyclopropane]?

The IUPAC name of (6R)-1',1'-difluoro-3-(5-fluoro-3,6-dimethyl-2H-pyrazolo[3,4-b]pyridin-4-yl)-2-(5-fluoro-2-pyridinyl)spiro[5,7-dihydro-4H-pyrazolo[1,5-a]pyridine-6,2'-cyclopropane] (CID 169305984) is (6R)-1',1'-difluoro-3-(5-fluoro-3,6-dimethyl-2H-pyrazolo[3,4-b]pyridin-4-yl)-2-(5-fluoro-2-pyridinyl)spiro[5,7-dihydro-4H-pyrazolo[1,5-a]pyridine-6,2'-cyclopropane].

What is the SMILES notation for (6R)-1',1'-difluoro-3-(5-fluoro-3,6-dimethyl-2H-pyrazolo[3,4-b]pyridin-4-yl)-2-(5-fluoro-2-pyridinyl)spiro[5,7-dihydro-4H-pyrazolo[1,5-a]pyridine-6,2'-cyclopropane]?

The canonical SMILES for (6R)-1',1'-difluoro-3-(5-fluoro-3,6-dimethyl-2H-pyrazolo[3,4-b]pyridin-4-yl)-2-(5-fluoro-2-pyridinyl)spiro[5,7-dihydro-4H-pyrazolo[1,5-a]pyridine-6,2'-cyclopropane] is Cc1nc2n[nH]c(C)c2c(-c2c(-c3ccc(F)cn3)nn3c2CC[C@]2(C3)CC2(F)F)c1F.

What is the InChIKey of (6R)-1',1'-difluoro-3-(5-fluoro-3,6-dimethyl-2H-pyrazolo[3,4-b]pyridin-4-yl)-2-(5-fluoro-2-pyridinyl)spiro[5,7-dihydro-4H-pyrazolo[1,5-a]pyridine-6,2'-cyclopropane]?

The InChIKey is RVGCWBDWEAGWDE-OAQYLSRUSA-N. The full InChI is InChI=1S/C22H18F4N6/c1-10-15-17(18(24)11(2)28-20(15)30-29-10)16-14-5-6-21(8-22(21,25)26)9-32(14)31-19(16)13-4-3-12(23)7-27-13/h3-4,7H,5-6,8-9H2,1-2H3,(H,28,29,30)/t21-/m1/s1.

What are the key properties of (6R)-1',1'-difluoro-3-(5-fluoro-3,6-dimethyl-2H-pyrazolo[3,4-b]pyridin-4-yl)-2-(5-fluoro-2-pyridinyl)spiro[5,7-dihydro-4H-pyrazolo[1,5-a]pyridine-6,2'-cyclopropane]?

(6R)-1',1'-difluoro-3-(5-fluoro-3,6-dimethyl-2H-pyrazolo[3,4-b]pyridin-4-yl)-2-(5-fluoro-2-pyridinyl)spiro[5,7-dihydro-4H-pyrazolo[1,5-a]pyridine-6,2'-cyclopropane] has a molecular weight of 442.42 g/mol, XLogP of 4.75, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for (6R)-1',1'-difluoro-3-(5-fluoro-3,6-dimethyl-2H-pyrazolo[3,4-b]pyridin-4-yl)-2-(5-fluoro-2-pyridinyl)spiro[5,7-dihydro-4H-pyrazolo[1,5-a]pyridine-6,2'-cyclopropane] is sourced from PubChem (CID 169305984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).