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

C87H93F3N18O7 — CID 158105643

IUPAC4-(7-fluoroimidazo[1,2-a]pyridin-3-yl)-7-[[6-[[2-methoxyethyl(methyl)amino]methyl]-5-[(3R)-oxolan-3-yl]-2-pyridinyl]amino]-2,3-dihydroisoindol-1-one;4-(7-fluoroimidazo[1,2-a]pyridin-3-yl)-7-[[6-[[methyl(propan-2-yl)amino]methyl]-5-[(3R)-oxolan-3-yl]-2-pyridinyl]amino]-2,3-dihydroisoindol-1-one;4-(7-fluoroimidazo[1,2-a]pyridin-3-yl)-7-[[6-[[methyl(propan-2-yl)amino]methyl]-5-[(3S)-oxolan-3-yl]-2-pyridinyl]amino]-2,3-dihydroisoindol-1-one
SMILESCC(C)N(C)Cc1nc(Nc2ccc(-c3cnc4cc(F)ccn34)c3c2C(=O)NC3)ccc1[C@@H]1CCOC1.CC(C)N(C)Cc1nc(Nc2ccc(-c3cnc4cc(F)ccn34)c3c2C(=O)NC3)ccc1[C@H]1CCOC1.COCCN(C)Cc1nc(Nc2ccc(-c3cnc4cc(F)ccn34)c3c2C(=O)NC3)ccc1[C@H]1CCOC1
InChIInChI=1S/C29H31FN6O3.2C29H31FN6O2/c1-35(10-12-38-2)16-24-20(18-8-11-39-17-18)4-6-26(34-24)33-23-5-3-21(22-14-32-29(37)28(22)23)25-15-31-27-13-19(30)7-9-36(25)27;2*1-17(2)35(3)15-24-20(18-9-11-38-16-18)5-7-26(34-24)33-23-6-4-21(22-13-32-29(37)28(22)23)25-14-31-27-12-19(30)8-10-36(25)27/h3-7,9,13,15,18H,8,10-12,14,16-17H2,1-2H3,(H,32,37)(H,33,34);2*4-8,10,12,14,17-18H,9,11,13,15-16H2,1-3H3,(H,32,37)(H,33,34)/t3*18-/m010/s1
InChIKeyFPUGBVUWFGZYPY-QYQRDYCASA-N
MW1559.81 g/mol
LogP13.84
Rot. Bonds23

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

4-(7-fluoroimidazo[1,2-a]pyridin-3-yl)-7-[[6-[[2-methoxyethyl(methyl)amino]methyl]-5-[(3R)-oxolan-3-yl]-2-pyridinyl]amino]-2,3-dihydroisoindol-1-one;4-(7-fluoroimidazo[1,2-a]pyridin-3-yl)-7-[[6-[[methyl(propan-2-yl)amino]methyl]-5-[(3R)-oxolan-3-yl]-2-pyridinyl]amino]-2,3-dihydroisoindol-1-one;4-(7-fluoroimidazo[1,2-a]pyridin-3-yl)-7-[[6-[[methyl(propan-2-yl)amino]methyl]-5-[(3S)-oxolan-3-yl]-2-pyridinyl]amino]-2,3-dihydroisoindol-1-one (PubChem CID 158105643) has the molecular formula C87H93F3N18O7 and a molecular weight of 1559.81 g/mol. Its IUPAC name is 4-(7-fluoroimidazo[1,2-a]pyridin-3-yl)-7-[[6-[[2-methoxyethyl(methyl)amino]methyl]-5-[(3R)-oxolan-3-yl]-2-pyridinyl]amino]-2,3-dihydroisoindol-1-one;4-(7-fluoroimidazo[1,2-a]pyridin-3-yl)-7-[[6-[[methyl(propan-2-yl)amino]methyl]-5-[(3R)-oxolan-3-yl]-2-pyridinyl]amino]-2,3-dihydroisoindol-1-one;4-(7-fluoroimidazo[1,2-a]pyridin-3-yl)-7-[[6-[[methyl(propan-2-yl)amino]methyl]-5-[(3S)-oxolan-3-yl]-2-pyridinyl]amino]-2,3-dihydroisoindol-1-one.

Molecular Properties

Compound Name4-(7-fluoroimidazo[1,2-a]pyridin-3-yl)-7-[[6-[[2-methoxyethyl(methyl)amino]methyl]-5-[(3R)-oxolan-3-yl]-2-pyridinyl]amino]-2,3-dihydroisoindol-1-one;4-(7-fluoroimidazo[1,2-a]pyridin-3-yl)-7-[[6-[[methyl(propan-2-yl)amino]methyl]-5-[(3R)-oxolan-3-yl]-2-pyridinyl]amino]-2,3-dihydroisoindol-1-one;4-(7-fluoroimidazo[1,2-a]pyridin-3-yl)-7-[[6-[[methyl(propan-2-yl)amino]methyl]-5-[(3S)-oxolan-3-yl]-2-pyridinyl]amino]-2,3-dihydroisoindol-1-one
PubChem CID158105643
Molecular FormulaC87H93F3N18O7
Molecular Weight1559.81 g/mol
Exact Mass1558.74
IUPAC Name4-(7-fluoroimidazo[1,2-a]pyridin-3-yl)-7-[[6-[[2-methoxyethyl(methyl)amino]methyl]-5-[(3R)-oxolan-3-yl]-2-pyridinyl]amino]-2,3-dihydroisoindol-1-one;4-(7-fluoroimidazo[1,2-a]pyridin-3-yl)-7-[[6-[[methyl(propan-2-yl)amino]methyl]-5-[(3R)-oxolan-3-yl]-2-pyridinyl]amino]-2,3-dihydroisoindol-1-one;4-(7-fluoroimidazo[1,2-a]pyridin-3-yl)-7-[[6-[[methyl(propan-2-yl)amino]methyl]-5-[(3S)-oxolan-3-yl]-2-pyridinyl]amino]-2,3-dihydroisoindol-1-one
SMILESCC(C)N(C)Cc1nc(Nc2ccc(-c3cnc4cc(F)ccn34)c3c2C(=O)NC3)ccc1[C@@H]1CCOC1.CC(C)N(C)Cc1nc(Nc2ccc(-c3cnc4cc(F)ccn34)c3c2C(=O)NC3)ccc1[C@H]1CCOC1.COCCN(C)Cc1nc(Nc2ccc(-c3cnc4cc(F)ccn34)c3c2C(=O)NC3)ccc1[C@H]1CCOC1
InChIInChI=1S/C29H31FN6O3.2C29H31FN6O2/c1-35(10-12-38-2)16-24-20(18-8-11-39-17-18)4-6-26(34-24)33-23-5-3-21(22-14-32-29(37)28(22)23)25-15-31-27-13-19(30)7-9-36(25)27;2*1-17(2)35(3)15-24-20(18-9-11-38-16-18)5-7-26(34-24)33-23-6-4-21(22-13-32-29(37)28(22)23)25-14-31-27-12-19(30)8-10-36(25)27/h3-7,9,13,15,18H,8,10-12,14,16-17H2,1-2H3,(H,32,37)(H,33,34);2*4-8,10,12,14,17-18H,9,11,13,15-16H2,1-3H3,(H,32,37)(H,33,34)/t3*18-/m010/s1
InChIKeyFPUGBVUWFGZYPY-QYQRDYCASA-N
XLogP13.84
TPSA260.60 Ų
H-Bond Donors6
H-Bond Acceptors22
Rotatable Bonds23
Heavy Atoms115
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001559.81
LogP ≤ 513.84
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1022

Analyze 4-(7-fluoroimidazo[1,2-a]pyridin-3-yl)-7-[[6-[[2-methoxyethyl(methyl)amino]methyl]-5-[(3R)-oxolan-3-yl]-2-pyridinyl]amino]-2,3-dihydroisoindol-1-one;4-(7-fluoroimidazo[1,2-a]pyridin-3-yl)-7-[[6-[[methyl(propan-2-yl)amino]methyl]-5-[(3R)-oxolan-3-yl]-2-pyridinyl]amino]-2,3-dihydroisoindol-1-one;4-(7-fluoroimidazo[1,2-a]pyridin-3-yl)-7-[[6-[[methyl(propan-2-yl)amino]methyl]-5-[(3S)-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 4-(7-fluoroimidazo[1,2-a]pyridin-3-yl)-7-[[6-[[2-methoxyethyl(methyl)amino]methyl]-5-[(3R)-oxolan-3-yl]-2-pyridinyl]amino]-2,3-dihydroisoindol-1-one;4-(7-fluoroimidazo[1,2-a]pyridin-3-yl)-7-[[6-[[methyl(propan-2-yl)amino]methyl]-5-[(3R)-oxolan-3-yl]-2-pyridinyl]amino]-2,3-dihydroisoindol-1-one;4-(7-fluoroimidazo[1,2-a]pyridin-3-yl)-7-[[6-[[methyl(propan-2-yl)amino]methyl]-5-[(3S)-oxolan-3-yl]-2-pyridinyl]amino]-2,3-dihydroisoindol-1-one?
The IUPAC name of 4-(7-fluoroimidazo[1,2-a]pyridin-3-yl)-7-[[6-[[2-methoxyethyl(methyl)amino]methyl]-5-[(3R)-oxolan-3-yl]-2-pyridinyl]amino]-2,3-dihydroisoindol-1-one;4-(7-fluoroimidazo[1,2-a]pyridin-3-yl)-7-[[6-[[methyl(propan-2-yl)amino]methyl]-5-[(3R)-oxolan-3-yl]-2-pyridinyl]amino]-2,3-dihydroisoindol-1-one;4-(7-fluoroimidazo[1,2-a]pyridin-3-yl)-7-[[6-[[methyl(propan-2-yl)amino]methyl]-5-[(3S)-oxolan-3-yl]-2-pyridinyl]amino]-2,3-dihydroisoindol-1-one (CID 158105643) is 4-(7-fluoroimidazo[1,2-a]pyridin-3-yl)-7-[[6-[[2-methoxyethyl(methyl)amino]methyl]-5-[(3R)-oxolan-3-yl]-2-pyridinyl]amino]-2,3-dihydroisoindol-1-one;4-(7-fluoroimidazo[1,2-a]pyridin-3-yl)-7-[[6-[[methyl(propan-2-yl)amino]methyl]-5-[(3R)-oxolan-3-yl]-2-pyridinyl]amino]-2,3-dihydroisoindol-1-one;4-(7-fluoroimidazo[1,2-a]pyridin-3-yl)-7-[[6-[[methyl(propan-2-yl)amino]methyl]-5-[(3S)-oxolan-3-yl]-2-pyridinyl]amino]-2,3-dihydroisoindol-1-one.
What is the SMILES notation for 4-(7-fluoroimidazo[1,2-a]pyridin-3-yl)-7-[[6-[[2-methoxyethyl(methyl)amino]methyl]-5-[(3R)-oxolan-3-yl]-2-pyridinyl]amino]-2,3-dihydroisoindol-1-one;4-(7-fluoroimidazo[1,2-a]pyridin-3-yl)-7-[[6-[[methyl(propan-2-yl)amino]methyl]-5-[(3R)-oxolan-3-yl]-2-pyridinyl]amino]-2,3-dihydroisoindol-1-one;4-(7-fluoroimidazo[1,2-a]pyridin-3-yl)-7-[[6-[[methyl(propan-2-yl)amino]methyl]-5-[(3S)-oxolan-3-yl]-2-pyridinyl]amino]-2,3-dihydroisoindol-1-one?
The canonical SMILES for 4-(7-fluoroimidazo[1,2-a]pyridin-3-yl)-7-[[6-[[2-methoxyethyl(methyl)amino]methyl]-5-[(3R)-oxolan-3-yl]-2-pyridinyl]amino]-2,3-dihydroisoindol-1-one;4-(7-fluoroimidazo[1,2-a]pyridin-3-yl)-7-[[6-[[methyl(propan-2-yl)amino]methyl]-5-[(3R)-oxolan-3-yl]-2-pyridinyl]amino]-2,3-dihydroisoindol-1-one;4-(7-fluoroimidazo[1,2-a]pyridin-3-yl)-7-[[6-[[methyl(propan-2-yl)amino]methyl]-5-[(3S)-oxolan-3-yl]-2-pyridinyl]amino]-2,3-dihydroisoindol-1-one is CC(C)N(C)Cc1nc(Nc2ccc(-c3cnc4cc(F)ccn34)c3c2C(=O)NC3)ccc1[C@@H]1CCOC1.CC(C)N(C)Cc1nc(Nc2ccc(-c3cnc4cc(F)ccn34)c3c2C(=O)NC3)ccc1[C@H]1CCOC1.COCCN(C)Cc1nc(Nc2ccc(-c3cnc4cc(F)ccn34)c3c2C(=O)NC3)ccc1[C@H]1CCOC1.
What is the InChIKey of 4-(7-fluoroimidazo[1,2-a]pyridin-3-yl)-7-[[6-[[2-methoxyethyl(methyl)amino]methyl]-5-[(3R)-oxolan-3-yl]-2-pyridinyl]amino]-2,3-dihydroisoindol-1-one;4-(7-fluoroimidazo[1,2-a]pyridin-3-yl)-7-[[6-[[methyl(propan-2-yl)amino]methyl]-5-[(3R)-oxolan-3-yl]-2-pyridinyl]amino]-2,3-dihydroisoindol-1-one;4-(7-fluoroimidazo[1,2-a]pyridin-3-yl)-7-[[6-[[methyl(propan-2-yl)amino]methyl]-5-[(3S)-oxolan-3-yl]-2-pyridinyl]amino]-2,3-dihydroisoindol-1-one?
The InChIKey is FPUGBVUWFGZYPY-QYQRDYCASA-N. The full InChI is InChI=1S/C29H31FN6O3.2C29H31FN6O2/c1-35(10-12-38-2)16-24-20(18-8-11-39-17-18)4-6-26(34-24)33-23-5-3-21(22-14-32-29(37)28(22)23)25-15-31-27-13-19(30)7-9-36(25)27;2*1-17(2)35(3)15-24-20(18-9-11-38-16-18)5-7-26(34-24)33-23-6-4-21(22-13-32-29(37)28(22)23)25-14-31-27-12-19(30)8-10-36(25)27/h3-7,9,13,15,18H,8,10-12,14,16-17H2,1-2H3,(H,32,37)(H,33,34);2*4-8,10,12,14,17-18H,9,11,13,15-16H2,1-3H3,(H,32,37)(H,33,34)/t3*18-/m010/s1.
What are the key properties of 4-(7-fluoroimidazo[1,2-a]pyridin-3-yl)-7-[[6-[[2-methoxyethyl(methyl)amino]methyl]-5-[(3R)-oxolan-3-yl]-2-pyridinyl]amino]-2,3-dihydroisoindol-1-one;4-(7-fluoroimidazo[1,2-a]pyridin-3-yl)-7-[[6-[[methyl(propan-2-yl)amino]methyl]-5-[(3R)-oxolan-3-yl]-2-pyridinyl]amino]-2,3-dihydroisoindol-1-one;4-(7-fluoroimidazo[1,2-a]pyridin-3-yl)-7-[[6-[[methyl(propan-2-yl)amino]methyl]-5-[(3S)-oxolan-3-yl]-2-pyridinyl]amino]-2,3-dihydroisoindol-1-one?
4-(7-fluoroimidazo[1,2-a]pyridin-3-yl)-7-[[6-[[2-methoxyethyl(methyl)amino]methyl]-5-[(3R)-oxolan-3-yl]-2-pyridinyl]amino]-2,3-dihydroisoindol-1-one;4-(7-fluoroimidazo[1,2-a]pyridin-3-yl)-7-[[6-[[methyl(propan-2-yl)amino]methyl]-5-[(3R)-oxolan-3-yl]-2-pyridinyl]amino]-2,3-dihydroisoindol-1-one;4-(7-fluoroimidazo[1,2-a]pyridin-3-yl)-7-[[6-[[methyl(propan-2-yl)amino]methyl]-5-[(3S)-oxolan-3-yl]-2-pyridinyl]amino]-2,3-dihydroisoindol-1-one has a molecular weight of 1559.81 g/mol, XLogP of 13.84, 23 rotatable bonds, 6 hydrogen bond donors, and 22 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(7-fluoroimidazo[1,2-a]pyridin-3-yl)-7-[[6-[[2-methoxyethyl(methyl)amino]methyl]-5-[(3R)-oxolan-3-yl]-2-pyridinyl]amino]-2,3-dihydroisoindol-1-one;4-(7-fluoroimidazo[1,2-a]pyridin-3-yl)-7-[[6-[[methyl(propan-2-yl)amino]methyl]-5-[(3R)-oxolan-3-yl]-2-pyridinyl]amino]-2,3-dihydroisoindol-1-one;4-(7-fluoroimidazo[1,2-a]pyridin-3-yl)-7-[[6-[[methyl(propan-2-yl)amino]methyl]-5-[(3S)-oxolan-3-yl]-2-pyridinyl]amino]-2,3-dihydroisoindol-1-one is sourced from PubChem (CID 158105643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).