7-[[6-[(3-fluoroazetidin-1-yl)methyl]-5-[(3R)-oxolan-3-yl]-2-pyridinyl]amino]-4-(7-fluoroimidazo[1,2-a]pyridin-3-yl)-2,3-dihydroisoindol-1-one;7-[[6-[(3-fluoroazetidin-1-yl)methyl]-5-[(3S)-oxolan-3-yl]-2-pyridinyl]amino]-4-(7-fluoroimidazo[1,2-a]pyridin-3-yl)-2,3-dihydroisoindol-1-one;4-(7-fluoroimidazo[1,2-a]pyridin-3-yl)-7-[[6-[(3-hydroxyazetidin-1-yl)methyl]-5-[(3R)-oxolan-3-yl]-2-pyridinyl]amino]-2,3-dihydroisoindol-1-one

C84H79F5N18O7 — CID 158936595

IUPAC7-[[6-[(3-fluoroazetidin-1-yl)methyl]-5-[(3R)-oxolan-3-yl]-2-pyridinyl]amino]-4-(7-fluoroimidazo[1,2-a]pyridin-3-yl)-2,3-dihydroisoindol-1-one;7-[[6-[(3-fluoroazetidin-1-yl)methyl]-5-[(3S)-oxolan-3-yl]-2-pyridinyl]amino]-4-(7-fluoroimidazo[1,2-a]pyridin-3-yl)-2,3-dihydroisoindol-1-one;4-(7-fluoroimidazo[1,2-a]pyridin-3-yl)-7-[[6-[(3-hydroxyazetidin-1-yl)methyl]-5-[(3R)-oxolan-3-yl]-2-pyridinyl]amino]-2,3-dihydroisoindol-1-one
SMILESO=C1NCc2c(-c3cnc4cc(F)ccn34)ccc(Nc3ccc([C@@H]4CCOC4)c(CN4CC(F)C4)n3)c21.O=C1NCc2c(-c3cnc4cc(F)ccn34)ccc(Nc3ccc([C@H]4CCOC4)c(CN4CC(F)C4)n3)c21.O=C1NCc2c(-c3cnc4cc(F)ccn34)ccc(Nc3ccc([C@H]4CCOC4)c(CN4CC(O)C4)n3)c21
InChIInChI=1S/2C28H26F2N6O2.C28H27FN6O3/c2*29-17-5-7-36-24(11-31-26(36)9-17)20-1-3-22(27-21(20)10-32-28(27)37)33-25-4-2-19(16-6-8-38-15-16)23(34-25)14-35-12-18(30)13-35;29-17-5-7-35-24(11-30-26(35)9-17)20-1-3-22(27-21(20)10-31-28(27)37)32-25-4-2-19(16-6-8-38-15-16)23(33-25)14-34-12-18(36)13-34/h2*1-5,7,9,11,16,18H,6,8,10,12-15H2,(H,32,37)(H,33,34);1-5,7,9,11,16,18,36H,6,8,10,12-15H2,(H,31,37)(H,32,33)/t3*16-/m100/s1
InChIKeyJJSLJZFFTWOFKX-JYIJHLBWSA-N
MW1547.66 g/mol
LogP11.56
Rot. Bonds18

About 7-[[6-[(3-fluoroazetidin-1-yl)methyl]-5-[(3R)-oxolan-3-yl]-2-pyridinyl]amino]-4-(7-fluoroimidazo[1,2-a]pyridin-3-yl)-2,3-dihydroisoindol-1-one;7-[[6-[(3-fluoroazetidin-1-yl)methyl]-5-[(3S)-oxolan-3-yl]-2-pyridinyl]amino]-4-(7-fluoroimidazo[1,2-a]pyridin-3-yl)-2,3-dihydroisoindol-1-one;4-(7-fluoroimidazo[1,2-a]pyridin-3-yl)-7-[[6-[(3-hydroxyazetidin-1-yl)methyl]-5-[(3R)-oxolan-3-yl]-2-pyridinyl]amino]-2,3-dihydroisoindol-1-one

7-[[6-[(3-fluoroazetidin-1-yl)methyl]-5-[(3R)-oxolan-3-yl]-2-pyridinyl]amino]-4-(7-fluoroimidazo[1,2-a]pyridin-3-yl)-2,3-dihydroisoindol-1-one;7-[[6-[(3-fluoroazetidin-1-yl)methyl]-5-[(3S)-oxolan-3-yl]-2-pyridinyl]amino]-4-(7-fluoroimidazo[1,2-a]pyridin-3-yl)-2,3-dihydroisoindol-1-one;4-(7-fluoroimidazo[1,2-a]pyridin-3-yl)-7-[[6-[(3-hydroxyazetidin-1-yl)methyl]-5-[(3R)-oxolan-3-yl]-2-pyridinyl]amino]-2,3-dihydroisoindol-1-one (PubChem CID 158936595) has the molecular formula C84H79F5N18O7 and a molecular weight of 1547.66 g/mol. Its IUPAC name is 7-[[6-[(3-fluoroazetidin-1-yl)methyl]-5-[(3R)-oxolan-3-yl]-2-pyridinyl]amino]-4-(7-fluoroimidazo[1,2-a]pyridin-3-yl)-2,3-dihydroisoindol-1-one;7-[[6-[(3-fluoroazetidin-1-yl)methyl]-5-[(3S)-oxolan-3-yl]-2-pyridinyl]amino]-4-(7-fluoroimidazo[1,2-a]pyridin-3-yl)-2,3-dihydroisoindol-1-one;4-(7-fluoroimidazo[1,2-a]pyridin-3-yl)-7-[[6-[(3-hydroxyazetidin-1-yl)methyl]-5-[(3R)-oxolan-3-yl]-2-pyridinyl]amino]-2,3-dihydroisoindol-1-one.

Molecular Properties

Compound Name7-[[6-[(3-fluoroazetidin-1-yl)methyl]-5-[(3R)-oxolan-3-yl]-2-pyridinyl]amino]-4-(7-fluoroimidazo[1,2-a]pyridin-3-yl)-2,3-dihydroisoindol-1-one;7-[[6-[(3-fluoroazetidin-1-yl)methyl]-5-[(3S)-oxolan-3-yl]-2-pyridinyl]amino]-4-(7-fluoroimidazo[1,2-a]pyridin-3-yl)-2,3-dihydroisoindol-1-one;4-(7-fluoroimidazo[1,2-a]pyridin-3-yl)-7-[[6-[(3-hydroxyazetidin-1-yl)methyl]-5-[(3R)-oxolan-3-yl]-2-pyridinyl]amino]-2,3-dihydroisoindol-1-one
PubChem CID158936595
Molecular FormulaC84H79F5N18O7
Molecular Weight1547.66 g/mol
Exact Mass1546.63
IUPAC Name7-[[6-[(3-fluoroazetidin-1-yl)methyl]-5-[(3R)-oxolan-3-yl]-2-pyridinyl]amino]-4-(7-fluoroimidazo[1,2-a]pyridin-3-yl)-2,3-dihydroisoindol-1-one;7-[[6-[(3-fluoroazetidin-1-yl)methyl]-5-[(3S)-oxolan-3-yl]-2-pyridinyl]amino]-4-(7-fluoroimidazo[1,2-a]pyridin-3-yl)-2,3-dihydroisoindol-1-one;4-(7-fluoroimidazo[1,2-a]pyridin-3-yl)-7-[[6-[(3-hydroxyazetidin-1-yl)methyl]-5-[(3R)-oxolan-3-yl]-2-pyridinyl]amino]-2,3-dihydroisoindol-1-one
SMILESO=C1NCc2c(-c3cnc4cc(F)ccn34)ccc(Nc3ccc([C@@H]4CCOC4)c(CN4CC(F)C4)n3)c21.O=C1NCc2c(-c3cnc4cc(F)ccn34)ccc(Nc3ccc([C@H]4CCOC4)c(CN4CC(F)C4)n3)c21.O=C1NCc2c(-c3cnc4cc(F)ccn34)ccc(Nc3ccc([C@H]4CCOC4)c(CN4CC(O)C4)n3)c21
InChIInChI=1S/2C28H26F2N6O2.C28H27FN6O3/c2*29-17-5-7-36-24(11-31-26(36)9-17)20-1-3-22(27-21(20)10-32-28(27)37)33-25-4-2-19(16-6-8-38-15-16)23(34-25)14-35-12-18(30)13-35;29-17-5-7-35-24(11-30-26(35)9-17)20-1-3-22(27-21(20)10-31-28(27)37)32-25-4-2-19(16-6-8-38-15-16)23(33-25)14-34-12-18(36)13-34/h2*1-5,7,9,11,16,18H,6,8,10,12-15H2,(H,32,37)(H,33,34);1-5,7,9,11,16,18,36H,6,8,10,12-15H2,(H,31,37)(H,32,33)/t3*16-/m100/s1
InChIKeyJJSLJZFFTWOFKX-JYIJHLBWSA-N
XLogP11.56
TPSA271.60 Ų
H-Bond Donors7
H-Bond Acceptors22
Rotatable Bonds18
Heavy Atoms114
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001547.66
LogP ≤ 511.56
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 1022

Analyze 7-[[6-[(3-fluoroazetidin-1-yl)methyl]-5-[(3R)-oxolan-3-yl]-2-pyridinyl]amino]-4-(7-fluoroimidazo[1,2-a]pyridin-3-yl)-2,3-dihydroisoindol-1-one;7-[[6-[(3-fluoroazetidin-1-yl)methyl]-5-[(3S)-oxolan-3-yl]-2-pyridinyl]amino]-4-(7-fluoroimidazo[1,2-a]pyridin-3-yl)-2,3-dihydroisoindol-1-one;4-(7-fluoroimidazo[1,2-a]pyridin-3-yl)-7-[[6-[(3-hydroxyazetidin-1-yl)methyl]-5-[(3R)-oxolan-3-yl]-2-pyridinyl]amino]-2,3-dihydroisoindol-1-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 7-[[6-[(3-fluoroazetidin-1-yl)methyl]-5-[(3R)-oxolan-3-yl]-2-pyridinyl]amino]-4-(7-fluoroimidazo[1,2-a]pyridin-3-yl)-2,3-dihydroisoindol-1-one;7-[[6-[(3-fluoroazetidin-1-yl)methyl]-5-[(3S)-oxolan-3-yl]-2-pyridinyl]amino]-4-(7-fluoroimidazo[1,2-a]pyridin-3-yl)-2,3-dihydroisoindol-1-one;4-(7-fluoroimidazo[1,2-a]pyridin-3-yl)-7-[[6-[(3-hydroxyazetidin-1-yl)methyl]-5-[(3R)-oxolan-3-yl]-2-pyridinyl]amino]-2,3-dihydroisoindol-1-one?
The IUPAC name of 7-[[6-[(3-fluoroazetidin-1-yl)methyl]-5-[(3R)-oxolan-3-yl]-2-pyridinyl]amino]-4-(7-fluoroimidazo[1,2-a]pyridin-3-yl)-2,3-dihydroisoindol-1-one;7-[[6-[(3-fluoroazetidin-1-yl)methyl]-5-[(3S)-oxolan-3-yl]-2-pyridinyl]amino]-4-(7-fluoroimidazo[1,2-a]pyridin-3-yl)-2,3-dihydroisoindol-1-one;4-(7-fluoroimidazo[1,2-a]pyridin-3-yl)-7-[[6-[(3-hydroxyazetidin-1-yl)methyl]-5-[(3R)-oxolan-3-yl]-2-pyridinyl]amino]-2,3-dihydroisoindol-1-one (CID 158936595) is 7-[[6-[(3-fluoroazetidin-1-yl)methyl]-5-[(3R)-oxolan-3-yl]-2-pyridinyl]amino]-4-(7-fluoroimidazo[1,2-a]pyridin-3-yl)-2,3-dihydroisoindol-1-one;7-[[6-[(3-fluoroazetidin-1-yl)methyl]-5-[(3S)-oxolan-3-yl]-2-pyridinyl]amino]-4-(7-fluoroimidazo[1,2-a]pyridin-3-yl)-2,3-dihydroisoindol-1-one;4-(7-fluoroimidazo[1,2-a]pyridin-3-yl)-7-[[6-[(3-hydroxyazetidin-1-yl)methyl]-5-[(3R)-oxolan-3-yl]-2-pyridinyl]amino]-2,3-dihydroisoindol-1-one.
What is the SMILES notation for 7-[[6-[(3-fluoroazetidin-1-yl)methyl]-5-[(3R)-oxolan-3-yl]-2-pyridinyl]amino]-4-(7-fluoroimidazo[1,2-a]pyridin-3-yl)-2,3-dihydroisoindol-1-one;7-[[6-[(3-fluoroazetidin-1-yl)methyl]-5-[(3S)-oxolan-3-yl]-2-pyridinyl]amino]-4-(7-fluoroimidazo[1,2-a]pyridin-3-yl)-2,3-dihydroisoindol-1-one;4-(7-fluoroimidazo[1,2-a]pyridin-3-yl)-7-[[6-[(3-hydroxyazetidin-1-yl)methyl]-5-[(3R)-oxolan-3-yl]-2-pyridinyl]amino]-2,3-dihydroisoindol-1-one?
The canonical SMILES for 7-[[6-[(3-fluoroazetidin-1-yl)methyl]-5-[(3R)-oxolan-3-yl]-2-pyridinyl]amino]-4-(7-fluoroimidazo[1,2-a]pyridin-3-yl)-2,3-dihydroisoindol-1-one;7-[[6-[(3-fluoroazetidin-1-yl)methyl]-5-[(3S)-oxolan-3-yl]-2-pyridinyl]amino]-4-(7-fluoroimidazo[1,2-a]pyridin-3-yl)-2,3-dihydroisoindol-1-one;4-(7-fluoroimidazo[1,2-a]pyridin-3-yl)-7-[[6-[(3-hydroxyazetidin-1-yl)methyl]-5-[(3R)-oxolan-3-yl]-2-pyridinyl]amino]-2,3-dihydroisoindol-1-one is O=C1NCc2c(-c3cnc4cc(F)ccn34)ccc(Nc3ccc([C@@H]4CCOC4)c(CN4CC(F)C4)n3)c21.O=C1NCc2c(-c3cnc4cc(F)ccn34)ccc(Nc3ccc([C@H]4CCOC4)c(CN4CC(F)C4)n3)c21.O=C1NCc2c(-c3cnc4cc(F)ccn34)ccc(Nc3ccc([C@H]4CCOC4)c(CN4CC(O)C4)n3)c21.
What is the InChIKey of 7-[[6-[(3-fluoroazetidin-1-yl)methyl]-5-[(3R)-oxolan-3-yl]-2-pyridinyl]amino]-4-(7-fluoroimidazo[1,2-a]pyridin-3-yl)-2,3-dihydroisoindol-1-one;7-[[6-[(3-fluoroazetidin-1-yl)methyl]-5-[(3S)-oxolan-3-yl]-2-pyridinyl]amino]-4-(7-fluoroimidazo[1,2-a]pyridin-3-yl)-2,3-dihydroisoindol-1-one;4-(7-fluoroimidazo[1,2-a]pyridin-3-yl)-7-[[6-[(3-hydroxyazetidin-1-yl)methyl]-5-[(3R)-oxolan-3-yl]-2-pyridinyl]amino]-2,3-dihydroisoindol-1-one?
The InChIKey is JJSLJZFFTWOFKX-JYIJHLBWSA-N. The full InChI is InChI=1S/2C28H26F2N6O2.C28H27FN6O3/c2*29-17-5-7-36-24(11-31-26(36)9-17)20-1-3-22(27-21(20)10-32-28(27)37)33-25-4-2-19(16-6-8-38-15-16)23(34-25)14-35-12-18(30)13-35;29-17-5-7-35-24(11-30-26(35)9-17)20-1-3-22(27-21(20)10-31-28(27)37)32-25-4-2-19(16-6-8-38-15-16)23(33-25)14-34-12-18(36)13-34/h2*1-5,7,9,11,16,18H,6,8,10,12-15H2,(H,32,37)(H,33,34);1-5,7,9,11,16,18,36H,6,8,10,12-15H2,(H,31,37)(H,32,33)/t3*16-/m100/s1.
What are the key properties of 7-[[6-[(3-fluoroazetidin-1-yl)methyl]-5-[(3R)-oxolan-3-yl]-2-pyridinyl]amino]-4-(7-fluoroimidazo[1,2-a]pyridin-3-yl)-2,3-dihydroisoindol-1-one;7-[[6-[(3-fluoroazetidin-1-yl)methyl]-5-[(3S)-oxolan-3-yl]-2-pyridinyl]amino]-4-(7-fluoroimidazo[1,2-a]pyridin-3-yl)-2,3-dihydroisoindol-1-one;4-(7-fluoroimidazo[1,2-a]pyridin-3-yl)-7-[[6-[(3-hydroxyazetidin-1-yl)methyl]-5-[(3R)-oxolan-3-yl]-2-pyridinyl]amino]-2,3-dihydroisoindol-1-one?
7-[[6-[(3-fluoroazetidin-1-yl)methyl]-5-[(3R)-oxolan-3-yl]-2-pyridinyl]amino]-4-(7-fluoroimidazo[1,2-a]pyridin-3-yl)-2,3-dihydroisoindol-1-one;7-[[6-[(3-fluoroazetidin-1-yl)methyl]-5-[(3S)-oxolan-3-yl]-2-pyridinyl]amino]-4-(7-fluoroimidazo[1,2-a]pyridin-3-yl)-2,3-dihydroisoindol-1-one;4-(7-fluoroimidazo[1,2-a]pyridin-3-yl)-7-[[6-[(3-hydroxyazetidin-1-yl)methyl]-5-[(3R)-oxolan-3-yl]-2-pyridinyl]amino]-2,3-dihydroisoindol-1-one has a molecular weight of 1547.66 g/mol, XLogP of 11.56, 18 rotatable bonds, 7 hydrogen bond donors, and 22 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[[6-[(3-fluoroazetidin-1-yl)methyl]-5-[(3R)-oxolan-3-yl]-2-pyridinyl]amino]-4-(7-fluoroimidazo[1,2-a]pyridin-3-yl)-2,3-dihydroisoindol-1-one;7-[[6-[(3-fluoroazetidin-1-yl)methyl]-5-[(3S)-oxolan-3-yl]-2-pyridinyl]amino]-4-(7-fluoroimidazo[1,2-a]pyridin-3-yl)-2,3-dihydroisoindol-1-one;4-(7-fluoroimidazo[1,2-a]pyridin-3-yl)-7-[[6-[(3-hydroxyazetidin-1-yl)methyl]-5-[(3R)-oxolan-3-yl]-2-pyridinyl]amino]-2,3-dihydroisoindol-1-one is sourced from PubChem (CID 158936595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).