4-(8-fluoro-7-methylimidazo[1,2-a]pyridin-3-yl)-7-[[5-[(2R)-2-(methoxymethyl)morpholin-4-yl]-2-pyridinyl]amino]-2,3-dihydroisoindol-1-one;7-[[5-(4-hydroxyoxan-4-yl)-2-pyridinyl]amino]-4-imidazo[1,2-a]pyridin-3-yl-2,3-dihydropyrrolo[3,4-c]pyridin-1-one

C51H49FN12O6 — CID 158632180

About 4-(8-fluoro-7-methylimidazo[1,2-a]pyridin-3-yl)-7-[[5-[(2R)-2-(methoxymethyl)morpholin-4-yl]-2-pyridinyl]amino]-2,3-dihydroisoindol-1-one;7-[[5-(4-hydroxyoxan-4-yl)-2-pyridinyl]amino]-4-imidazo[1,2-a]pyridin-3-yl-2,3-dihydropyrrolo[3,4-c]pyridin-1-one

4-(8-fluoro-7-methylimidazo[1,2-a]pyridin-3-yl)-7-[[5-[(2R)-2-(methoxymethyl)morpholin-4-yl]-2-pyridinyl]amino]-2,3-dihydroisoindol-1-one;7-[[5-(4-hydroxyoxan-4-yl)-2-pyridinyl]amino]-4-imidazo[1,2-a]pyridin-3-yl-2,3-dihydropyrrolo[3,4-c]pyridin-1-one (PubChem CID 158632180) has the molecular formula C51H49FN12O6 and a molecular weight of 945.03 g/mol. Its IUPAC name is 4-(8-fluoro-7-methylimidazo[1,2-a]pyridin-3-yl)-7-[[5-[(2R)-2-(methoxymethyl)morpholin-4-yl]-2-pyridinyl]amino]-2,3-dihydroisoindol-1-one;7-[[5-(4-hydroxyoxan-4-yl)-2-pyridinyl]amino]-4-imidazo[1,2-a]pyridin-3-yl-2,3-dihydropyrrolo[3,4-c]pyridin-1-one.

Molecular Properties

• Compound Name: 4-(8-fluoro-7-methylimidazo[1,2-a]pyridin-3-yl)-7-[[5-[(2R)-2-(methoxymethyl)morpholin-4-yl]-2-pyridinyl]amino]-2,3-dihydroisoindol-1-one;7-[[5-(4-hydroxyoxan-4-yl)-2-pyridinyl]amino]-4-imidazo[1,2-a]pyridin-3-yl-2,3-dihydropyrrolo[3,4-c]pyridin-1-one
• PubChem CID: 158632180
• Molecular Formula: C51H49FN12O6
• Molecular Weight: 945.03 g/mol
• Exact Mass: 944.39
• IUPAC Name: 4-(8-fluoro-7-methylimidazo[1,2-a]pyridin-3-yl)-7-[[5-[(2R)-2-(methoxymethyl)morpholin-4-yl]-2-pyridinyl]amino]-2,3-dihydroisoindol-1-one;7-[[5-(4-hydroxyoxan-4-yl)-2-pyridinyl]amino]-4-imidazo[1,2-a]pyridin-3-yl-2,3-dihydropyrrolo[3,4-c]pyridin-1-one
• SMILES: COC[C@H]1CN(c2ccc(Nc3ccc(-c4cnc5c(F)c(C)ccn45)c4c3C(=O)NC4)nc2)CCO1.O=C1NCc2c(-c3cnc4ccccn34)ncc(Nc3ccc(C4(O)CCOCC4)cn3)c21
• InChI: InChI=1S/C27H27FN6O3.C24H22N6O3/c1-16-7-8-34-22(13-30-26(34)25(16)28)19-4-5-21(24-20(19)12-31-27(24)35)32-23-6-3-17(11-29-23)33-9-10-37-18(14-33)15-36-2;31-23-21-16(12-28-23)22(18-14-26-20-3-1-2-8-30(18)20)27-13-17(21)29-19-5-4-15(11-25-19)24(32)6-9-33-10-7-24/h3-8,11,13,18H,9-10,12,14-15H2,1-2H3,(H,29,32)(H,31,35);1-5,8,11,13-14,32H,6-7,9-10,12H2,(H,25,29)(H,28,31)/t18-;/m1./s1
• InChIKey: HZIHYZSKECYRKL-GMUIIQOCSA-N
• XLogP: 6.46
• TPSA: 206.69 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 16
• Rotatable Bonds: 10
• Heavy Atoms: 70
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	945.03
LogP ≤ 5	6.46
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	16

Frequently Asked Questions

What is the IUPAC name of 4-(8-fluoro-7-methylimidazo[1,2-a]pyridin-3-yl)-7-[[5-[(2R)-2-(methoxymethyl)morpholin-4-yl]-2-pyridinyl]amino]-2,3-dihydroisoindol-1-one;7-[[5-(4-hydroxyoxan-4-yl)-2-pyridinyl]amino]-4-imidazo[1,2-a]pyridin-3-yl-2,3-dihydropyrrolo[3,4-c]pyridin-1-one?

The IUPAC name of 4-(8-fluoro-7-methylimidazo[1,2-a]pyridin-3-yl)-7-[[5-[(2R)-2-(methoxymethyl)morpholin-4-yl]-2-pyridinyl]amino]-2,3-dihydroisoindol-1-one;7-[[5-(4-hydroxyoxan-4-yl)-2-pyridinyl]amino]-4-imidazo[1,2-a]pyridin-3-yl-2,3-dihydropyrrolo[3,4-c]pyridin-1-one (CID 158632180) is 4-(8-fluoro-7-methylimidazo[1,2-a]pyridin-3-yl)-7-[[5-[(2R)-2-(methoxymethyl)morpholin-4-yl]-2-pyridinyl]amino]-2,3-dihydroisoindol-1-one;7-[[5-(4-hydroxyoxan-4-yl)-2-pyridinyl]amino]-4-imidazo[1,2-a]pyridin-3-yl-2,3-dihydropyrrolo[3,4-c]pyridin-1-one.

What is the SMILES notation for 4-(8-fluoro-7-methylimidazo[1,2-a]pyridin-3-yl)-7-[[5-[(2R)-2-(methoxymethyl)morpholin-4-yl]-2-pyridinyl]amino]-2,3-dihydroisoindol-1-one;7-[[5-(4-hydroxyoxan-4-yl)-2-pyridinyl]amino]-4-imidazo[1,2-a]pyridin-3-yl-2,3-dihydropyrrolo[3,4-c]pyridin-1-one?

The canonical SMILES for 4-(8-fluoro-7-methylimidazo[1,2-a]pyridin-3-yl)-7-[[5-[(2R)-2-(methoxymethyl)morpholin-4-yl]-2-pyridinyl]amino]-2,3-dihydroisoindol-1-one;7-[[5-(4-hydroxyoxan-4-yl)-2-pyridinyl]amino]-4-imidazo[1,2-a]pyridin-3-yl-2,3-dihydropyrrolo[3,4-c]pyridin-1-one is COC[C@H]1CN(c2ccc(Nc3ccc(-c4cnc5c(F)c(C)ccn45)c4c3C(=O)NC4)nc2)CCO1.O=C1NCc2c(-c3cnc4ccccn34)ncc(Nc3ccc(C4(O)CCOCC4)cn3)c21.

What is the InChIKey of 4-(8-fluoro-7-methylimidazo[1,2-a]pyridin-3-yl)-7-[[5-[(2R)-2-(methoxymethyl)morpholin-4-yl]-2-pyridinyl]amino]-2,3-dihydroisoindol-1-one;7-[[5-(4-hydroxyoxan-4-yl)-2-pyridinyl]amino]-4-imidazo[1,2-a]pyridin-3-yl-2,3-dihydropyrrolo[3,4-c]pyridin-1-one?

The InChIKey is HZIHYZSKECYRKL-GMUIIQOCSA-N. The full InChI is InChI=1S/C27H27FN6O3.C24H22N6O3/c1-16-7-8-34-22(13-30-26(34)25(16)28)19-4-5-21(24-20(19)12-31-27(24)35)32-23-6-3-17(11-29-23)33-9-10-37-18(14-33)15-36-2;31-23-21-16(12-28-23)22(18-14-26-20-3-1-2-8-30(18)20)27-13-17(21)29-19-5-4-15(11-25-19)24(32)6-9-33-10-7-24/h3-8,11,13,18H,9-10,12,14-15H2,1-2H3,(H,29,32)(H,31,35);1-5,8,11,13-14,32H,6-7,9-10,12H2,(H,25,29)(H,28,31)/t18-;/m1./s1.

What are the key properties of 4-(8-fluoro-7-methylimidazo[1,2-a]pyridin-3-yl)-7-[[5-[(2R)-2-(methoxymethyl)morpholin-4-yl]-2-pyridinyl]amino]-2,3-dihydroisoindol-1-one;7-[[5-(4-hydroxyoxan-4-yl)-2-pyridinyl]amino]-4-imidazo[1,2-a]pyridin-3-yl-2,3-dihydropyrrolo[3,4-c]pyridin-1-one?

4-(8-fluoro-7-methylimidazo[1,2-a]pyridin-3-yl)-7-[[5-[(2R)-2-(methoxymethyl)morpholin-4-yl]-2-pyridinyl]amino]-2,3-dihydroisoindol-1-one;7-[[5-(4-hydroxyoxan-4-yl)-2-pyridinyl]amino]-4-imidazo[1,2-a]pyridin-3-yl-2,3-dihydropyrrolo[3,4-c]pyridin-1-one has a molecular weight of 945.03 g/mol, XLogP of 6.46, 10 rotatable bonds, 5 hydrogen bond donors, and 16 hydrogen bond acceptors.

Where does this data come from?

All data for 4-(8-fluoro-7-methylimidazo[1,2-a]pyridin-3-yl)-7-[[5-[(2R)-2-(methoxymethyl)morpholin-4-yl]-2-pyridinyl]amino]-2,3-dihydroisoindol-1-one;7-[[5-(4-hydroxyoxan-4-yl)-2-pyridinyl]amino]-4-imidazo[1,2-a]pyridin-3-yl-2,3-dihydropyrrolo[3,4-c]pyridin-1-one is sourced from PubChem (CID 158632180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).