6-[3-[2-[[4-[6-cyano-2-(2-cyclopropyl-[1,3]oxazolo[5,4-b]pyridin-6-yl)-3-pyridinyl]pyrazol-1-yl]methyl]-2-fluorocyclopentyl]-2-cyclopropylimidazo[1,2-a]pyridin-7-yl]-5-[1-[(1-fluorocyclopentyl)methyl]pyrazol-4-yl]pyridine-2-carbonitrile

C49H42F2N12O — CID 137389356

About 6-[3-[2-[[4-[6-cyano-2-(2-cyclopropyl-[1,3]oxazolo[5,4-b]pyridin-6-yl)-3-pyridinyl]pyrazol-1-yl]methyl]-2-fluorocyclopentyl]-2-cyclopropylimidazo[1,2-a]pyridin-7-yl]-5-[1-[(1-fluorocyclopentyl)methyl]pyrazol-4-yl]pyridine-2-carbonitrile

6-[3-[2-[[4-[6-cyano-2-(2-cyclopropyl-[1,3]oxazolo[5,4-b]pyridin-6-yl)-3-pyridinyl]pyrazol-1-yl]methyl]-2-fluorocyclopentyl]-2-cyclopropylimidazo[1,2-a]pyridin-7-yl]-5-[1-[(1-fluorocyclopentyl)methyl]pyrazol-4-yl]pyridine-2-carbonitrile (PubChem CID 137389356) has the molecular formula C49H42F2N12O and a molecular weight of 852.95 g/mol. Its IUPAC name is 6-[3-[2-[[4-[6-cyano-2-(2-cyclopropyl-[1,3]oxazolo[5,4-b]pyridin-6-yl)-3-pyridinyl]pyrazol-1-yl]methyl]-2-fluorocyclopentyl]-2-cyclopropylimidazo[1,2-a]pyridin-7-yl]-5-[1-[(1-fluorocyclopentyl)methyl]pyrazol-4-yl]pyridine-2-carbonitrile.

Molecular Properties

• Compound Name: 6-[3-[2-[[4-[6-cyano-2-(2-cyclopropyl-[1,3]oxazolo[5,4-b]pyridin-6-yl)-3-pyridinyl]pyrazol-1-yl]methyl]-2-fluorocyclopentyl]-2-cyclopropylimidazo[1,2-a]pyridin-7-yl]-5-[1-[(1-fluorocyclopentyl)methyl]pyrazol-4-yl]pyridine-2-carbonitrile
• PubChem CID: 137389356
• Molecular Formula: C49H42F2N12O
• Molecular Weight: 852.95 g/mol
• Exact Mass: 852.36
• IUPAC Name: 6-[3-[2-[[4-[6-cyano-2-(2-cyclopropyl-[1,3]oxazolo[5,4-b]pyridin-6-yl)-3-pyridinyl]pyrazol-1-yl]methyl]-2-fluorocyclopentyl]-2-cyclopropylimidazo[1,2-a]pyridin-7-yl]-5-[1-[(1-fluorocyclopentyl)methyl]pyrazol-4-yl]pyridine-2-carbonitrile
• SMILES: N#Cc1ccc(-c2cnn(CC3(F)CCCC3c3c(C4CC4)nc4cc(-c5nc(C#N)ccc5-c5cnn(CC6(F)CCCC6)c5)ccn34)c2)c(-c2cnc3oc(C4CC4)nc3c2)n1
• InChI: InChI=1S/C49H42F2N12O/c50-48(14-1-2-15-48)27-61-25-33(23-55-61)37-11-9-35(20-52)57-42(37)31-13-17-63-41(19-31)60-44(29-5-6-29)45(63)39-4-3-16-49(39,51)28-62-26-34(24-56-62)38-12-10-36(21-53)58-43(38)32-18-40-47(54-22-32)64-46(59-40)30-7-8-30/h9-13,17-19,22-26,29-30,39H,1-8,14-16,27-28H2
• InChIKey: NJCJHKSTCXVXAN-UHFFFAOYSA-N
• XLogP: 10.18
• TPSA: 165.22 Ų
• H-Bond Acceptors: 13
• Rotatable Bonds: 11
• Heavy Atoms: 64
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	852.95
LogP ≤ 5	10.18
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	13

Frequently Asked Questions

What is the IUPAC name of 6-[3-[2-[[4-[6-cyano-2-(2-cyclopropyl-[1,3]oxazolo[5,4-b]pyridin-6-yl)-3-pyridinyl]pyrazol-1-yl]methyl]-2-fluorocyclopentyl]-2-cyclopropylimidazo[1,2-a]pyridin-7-yl]-5-[1-[(1-fluorocyclopentyl)methyl]pyrazol-4-yl]pyridine-2-carbonitrile?

The IUPAC name of 6-[3-[2-[[4-[6-cyano-2-(2-cyclopropyl-[1,3]oxazolo[5,4-b]pyridin-6-yl)-3-pyridinyl]pyrazol-1-yl]methyl]-2-fluorocyclopentyl]-2-cyclopropylimidazo[1,2-a]pyridin-7-yl]-5-[1-[(1-fluorocyclopentyl)methyl]pyrazol-4-yl]pyridine-2-carbonitrile (CID 137389356) is 6-[3-[2-[[4-[6-cyano-2-(2-cyclopropyl-[1,3]oxazolo[5,4-b]pyridin-6-yl)-3-pyridinyl]pyrazol-1-yl]methyl]-2-fluorocyclopentyl]-2-cyclopropylimidazo[1,2-a]pyridin-7-yl]-5-[1-[(1-fluorocyclopentyl)methyl]pyrazol-4-yl]pyridine-2-carbonitrile.

What is the SMILES notation for 6-[3-[2-[[4-[6-cyano-2-(2-cyclopropyl-[1,3]oxazolo[5,4-b]pyridin-6-yl)-3-pyridinyl]pyrazol-1-yl]methyl]-2-fluorocyclopentyl]-2-cyclopropylimidazo[1,2-a]pyridin-7-yl]-5-[1-[(1-fluorocyclopentyl)methyl]pyrazol-4-yl]pyridine-2-carbonitrile?

The canonical SMILES for 6-[3-[2-[[4-[6-cyano-2-(2-cyclopropyl-[1,3]oxazolo[5,4-b]pyridin-6-yl)-3-pyridinyl]pyrazol-1-yl]methyl]-2-fluorocyclopentyl]-2-cyclopropylimidazo[1,2-a]pyridin-7-yl]-5-[1-[(1-fluorocyclopentyl)methyl]pyrazol-4-yl]pyridine-2-carbonitrile is N#Cc1ccc(-c2cnn(CC3(F)CCCC3c3c(C4CC4)nc4cc(-c5nc(C#N)ccc5-c5cnn(CC6(F)CCCC6)c5)ccn34)c2)c(-c2cnc3oc(C4CC4)nc3c2)n1.

What is the InChIKey of 6-[3-[2-[[4-[6-cyano-2-(2-cyclopropyl-[1,3]oxazolo[5,4-b]pyridin-6-yl)-3-pyridinyl]pyrazol-1-yl]methyl]-2-fluorocyclopentyl]-2-cyclopropylimidazo[1,2-a]pyridin-7-yl]-5-[1-[(1-fluorocyclopentyl)methyl]pyrazol-4-yl]pyridine-2-carbonitrile?

The InChIKey is NJCJHKSTCXVXAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C49H42F2N12O/c50-48(14-1-2-15-48)27-61-25-33(23-55-61)37-11-9-35(20-52)57-42(37)31-13-17-63-41(19-31)60-44(29-5-6-29)45(63)39-4-3-16-49(39,51)28-62-26-34(24-56-62)38-12-10-36(21-53)58-43(38)32-18-40-47(54-22-32)64-46(59-40)30-7-8-30/h9-13,17-19,22-26,29-30,39H,1-8,14-16,27-28H2.

What are the key properties of 6-[3-[2-[[4-[6-cyano-2-(2-cyclopropyl-[1,3]oxazolo[5,4-b]pyridin-6-yl)-3-pyridinyl]pyrazol-1-yl]methyl]-2-fluorocyclopentyl]-2-cyclopropylimidazo[1,2-a]pyridin-7-yl]-5-[1-[(1-fluorocyclopentyl)methyl]pyrazol-4-yl]pyridine-2-carbonitrile?

6-[3-[2-[[4-[6-cyano-2-(2-cyclopropyl-[1,3]oxazolo[5,4-b]pyridin-6-yl)-3-pyridinyl]pyrazol-1-yl]methyl]-2-fluorocyclopentyl]-2-cyclopropylimidazo[1,2-a]pyridin-7-yl]-5-[1-[(1-fluorocyclopentyl)methyl]pyrazol-4-yl]pyridine-2-carbonitrile has a molecular weight of 852.95 g/mol, XLogP of 10.18, 11 rotatable bonds, 0 hydrogen bond donors, and 13 hydrogen bond acceptors.

Where does this data come from?

All data for 6-[3-[2-[[4-[6-cyano-2-(2-cyclopropyl-[1,3]oxazolo[5,4-b]pyridin-6-yl)-3-pyridinyl]pyrazol-1-yl]methyl]-2-fluorocyclopentyl]-2-cyclopropylimidazo[1,2-a]pyridin-7-yl]-5-[1-[(1-fluorocyclopentyl)methyl]pyrazol-4-yl]pyridine-2-carbonitrile is sourced from PubChem (CID 137389356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).