4-chloro-6-[(2,4-dimethoxyphenyl)methyl]-2-(2-fluorophenyl)-7H-pyrrolo[3,4-b]pyridin-5-one;6-[(2,4-dimethoxyphenyl)methyl]-2-(2-fluorophenyl)-4-[(5-morpholin-4-yl-2-pyridinyl)methyl]-7H-pyrrolo[3,4-b]pyridin-5-one;2-(2-fluorophenyl)-4-[(5-morpholin-4-yl-2-pyridinyl)methyl]-6,7-dihydropyrrolo[3,4-b]pyridin-5-one;5-morpholin-4-ylpyridin-2-amine

C86H83ClF3N13O10 — CID 157426175

IUPAC4-chloro-6-[(2,4-dimethoxyphenyl)methyl]-2-(2-fluorophenyl)-7H-pyrrolo[3,4-b]pyridin-5-one;6-[(2,4-dimethoxyphenyl)methyl]-2-(2-fluorophenyl)-4-[(5-morpholin-4-yl-2-pyridinyl)methyl]-7H-pyrrolo[3,4-b]pyridin-5-one;2-(2-fluorophenyl)-4-[(5-morpholin-4-yl-2-pyridinyl)methyl]-6,7-dihydropyrrolo[3,4-b]pyridin-5-one;5-morpholin-4-ylpyridin-2-amine
SMILESCOc1ccc(CN2Cc3nc(-c4ccccc4F)cc(Cc4ccc(N5CCOCC5)cn4)c3C2=O)c(OC)c1.COc1ccc(CN2Cc3nc(-c4ccccc4F)cc(Cl)c3C2=O)c(OC)c1.Nc1ccc(N2CCOCC2)cn1.O=C1NCc2nc(-c3ccccc3F)cc(Cc3ccc(N4CCOCC4)cn3)c21
InChIInChI=1S/C32H31FN4O4.C23H21FN4O2.C22H18ClFN2O3.C9H13N3O/c1-39-25-10-7-21(30(17-25)40-2)19-37-20-29-31(32(37)38)22(16-28(35-29)26-5-3-4-6-27(26)33)15-23-8-9-24(18-34-23)36-11-13-41-14-12-36;24-19-4-2-1-3-18(19)20-12-15(22-21(27-20)14-26-23(22)29)11-16-5-6-17(13-25-16)28-7-9-30-10-8-28;1-28-14-8-7-13(20(9-14)29-2)11-26-12-19-21(22(26)27)16(23)10-18(25-19)15-5-3-4-6-17(15)24;10-9-2-1-8(7-11-9)12-3-5-13-6-4-12/h3-10,16-18H,11-15,19-20H2,1-2H3;1-6,12-13H,7-11,14H2,(H,26,29);3-10H,11-12H2,1-2H3;1-2,7H,3-6H2,(H2,10,11)
InChIKeyBPZFXWSJJCZLSH-UHFFFAOYSA-N
MW1551.14 g/mol
LogP13.05
Rot. Bonds18

About 4-chloro-6-[(2,4-dimethoxyphenyl)methyl]-2-(2-fluorophenyl)-7H-pyrrolo[3,4-b]pyridin-5-one;6-[(2,4-dimethoxyphenyl)methyl]-2-(2-fluorophenyl)-4-[(5-morpholin-4-yl-2-pyridinyl)methyl]-7H-pyrrolo[3,4-b]pyridin-5-one;2-(2-fluorophenyl)-4-[(5-morpholin-4-yl-2-pyridinyl)methyl]-6,7-dihydropyrrolo[3,4-b]pyridin-5-one;5-morpholin-4-ylpyridin-2-amine

4-chloro-6-[(2,4-dimethoxyphenyl)methyl]-2-(2-fluorophenyl)-7H-pyrrolo[3,4-b]pyridin-5-one;6-[(2,4-dimethoxyphenyl)methyl]-2-(2-fluorophenyl)-4-[(5-morpholin-4-yl-2-pyridinyl)methyl]-7H-pyrrolo[3,4-b]pyridin-5-one;2-(2-fluorophenyl)-4-[(5-morpholin-4-yl-2-pyridinyl)methyl]-6,7-dihydropyrrolo[3,4-b]pyridin-5-one;5-morpholin-4-ylpyridin-2-amine (PubChem CID 157426175) has the molecular formula C86H83ClF3N13O10 and a molecular weight of 1551.14 g/mol. Its IUPAC name is 4-chloro-6-[(2,4-dimethoxyphenyl)methyl]-2-(2-fluorophenyl)-7H-pyrrolo[3,4-b]pyridin-5-one;6-[(2,4-dimethoxyphenyl)methyl]-2-(2-fluorophenyl)-4-[(5-morpholin-4-yl-2-pyridinyl)methyl]-7H-pyrrolo[3,4-b]pyridin-5-one;2-(2-fluorophenyl)-4-[(5-morpholin-4-yl-2-pyridinyl)methyl]-6,7-dihydropyrrolo[3,4-b]pyridin-5-one;5-morpholin-4-ylpyridin-2-amine.

Molecular Properties

Compound Name4-chloro-6-[(2,4-dimethoxyphenyl)methyl]-2-(2-fluorophenyl)-7H-pyrrolo[3,4-b]pyridin-5-one;6-[(2,4-dimethoxyphenyl)methyl]-2-(2-fluorophenyl)-4-[(5-morpholin-4-yl-2-pyridinyl)methyl]-7H-pyrrolo[3,4-b]pyridin-5-one;2-(2-fluorophenyl)-4-[(5-morpholin-4-yl-2-pyridinyl)methyl]-6,7-dihydropyrrolo[3,4-b]pyridin-5-one;5-morpholin-4-ylpyridin-2-amine
PubChem CID157426175
Molecular FormulaC86H83ClF3N13O10
Molecular Weight1551.14 g/mol
Exact Mass1549.60
IUPAC Name4-chloro-6-[(2,4-dimethoxyphenyl)methyl]-2-(2-fluorophenyl)-7H-pyrrolo[3,4-b]pyridin-5-one;6-[(2,4-dimethoxyphenyl)methyl]-2-(2-fluorophenyl)-4-[(5-morpholin-4-yl-2-pyridinyl)methyl]-7H-pyrrolo[3,4-b]pyridin-5-one;2-(2-fluorophenyl)-4-[(5-morpholin-4-yl-2-pyridinyl)methyl]-6,7-dihydropyrrolo[3,4-b]pyridin-5-one;5-morpholin-4-ylpyridin-2-amine
SMILESCOc1ccc(CN2Cc3nc(-c4ccccc4F)cc(Cc4ccc(N5CCOCC5)cn4)c3C2=O)c(OC)c1.COc1ccc(CN2Cc3nc(-c4ccccc4F)cc(Cl)c3C2=O)c(OC)c1.Nc1ccc(N2CCOCC2)cn1.O=C1NCc2nc(-c3ccccc3F)cc(Cc3ccc(N4CCOCC4)cn3)c21
InChIInChI=1S/C32H31FN4O4.C23H21FN4O2.C22H18ClFN2O3.C9H13N3O/c1-39-25-10-7-21(30(17-25)40-2)19-37-20-29-31(32(37)38)22(16-28(35-29)26-5-3-4-6-27(26)33)15-23-8-9-24(18-34-23)36-11-13-41-14-12-36;24-19-4-2-1-3-18(19)20-12-15(22-21(27-20)14-26-23(22)29)11-16-5-6-17(13-25-16)28-7-9-30-10-8-28;1-28-14-8-7-13(20(9-14)29-2)11-26-12-19-21(22(26)27)16(23)10-18(25-19)15-5-3-4-6-17(15)24;10-9-2-1-8(7-11-9)12-3-5-13-6-4-12/h3-10,16-18H,11-15,19-20H2,1-2H3;1-6,12-13H,7-11,14H2,(H,26,29);3-10H,11-12H2,1-2H3;1-2,7H,3-6H2,(H2,10,11)
InChIKeyBPZFXWSJJCZLSH-UHFFFAOYSA-N
XLogP13.05
TPSA247.41 Ų
H-Bond Donors2
H-Bond Acceptors20
Rotatable Bonds18
Heavy Atoms113
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001551.14
LogP ≤ 513.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1020

Analyze 4-chloro-6-[(2,4-dimethoxyphenyl)methyl]-2-(2-fluorophenyl)-7H-pyrrolo[3,4-b]pyridin-5-one;6-[(2,4-dimethoxyphenyl)methyl]-2-(2-fluorophenyl)-4-[(5-morpholin-4-yl-2-pyridinyl)methyl]-7H-pyrrolo[3,4-b]pyridin-5-one;2-(2-fluorophenyl)-4-[(5-morpholin-4-yl-2-pyridinyl)methyl]-6,7-dihydropyrrolo[3,4-b]pyridin-5-one;5-morpholin-4-ylpyridin-2-amine with MolForge

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Related Compounds

2-(2-chloro-6-fluorophenyl)-6-[(2,4-dimethoxyphenyl)methyl]-4-[(5-methoxy-2-pyridinyl)amino]-7H-pyrrolo[3,4-b]pyridin-5-one
CID 118347826
2-[6-[[2-(2-chloro-6-fluorophenyl)-6-[(2,4-dimethoxyphenyl)methyl]-5-oxo-7H-pyrrolo[3,4-b]pyridin-4-yl]amino]-3-pyridinyl]-N-ethylacetamide
CID 118347840
6-[[2-(2-chloro-6-fluorophenyl)-6-[(2,4-dimethoxyphenyl)methyl]-5-oxo-7H-pyrrolo[3,4-b]pyridin-4-yl]amino]-N-ethylpyridine-3-carboxamide
CID 118347922
2-(2,6-difluorophenyl)-6-[(2,4-dimethoxyphenyl)methyl]-4-[(5-morpholin-4-yl-2-pyridinyl)amino]-7H-pyrrolo[3,4-b]pyridin-5-one
CID 118348053
2-(2-chloro-6-fluorophenyl)-6-[(2-hydroxy-4-methoxyphenyl)methyl]-4-[(5-pyrrolidin-1-yl-2-pyridinyl)amino]-7H-pyrrolo[3,4-b]pyridin-5-one
CID 118348058
2-(2,6-difluorophenyl)-6-[(2,4-dimethoxyphenyl)methyl]-4-[[5-(2,2-dimethyl-6-oxopiperidin-1-yl)-2-pyridinyl]amino]-7H-pyrrolo[3,4-b]pyridin-5-one
CID 118348088
2-(2,6-difluorophenyl)-6-[(2,4-dimethoxyphenyl)methyl]-4-[[5-[(3R,5R)-3,5-dimethylmorpholin-4-yl]-2-pyridinyl]amino]-7H-pyrrolo[3,4-b]pyridin-5-one
CID 118348105
2-(2,6-difluorophenyl)-6-[(2,4-dimethoxyphenyl)methyl]-4-[[5-[(3S,5S)-3,5-dimethylmorpholin-4-yl]-2-pyridinyl]amino]-7H-pyrrolo[3,4-b]pyridin-5-one
CID 118348193
2-(2,6-difluorophenyl)-6-[(2,4-dimethoxyphenyl)methyl]-4-[[5-(morpholine-4-carbonyl)-2-pyridinyl]amino]-7H-pyrrolo[3,4-b]pyridin-5-one
CID 118348240
2-(2,6-difluorophenyl)-6-[(2,4-dimethoxyphenyl)methyl]-4-[[5-(3-methylmorpholin-4-yl)-2-pyridinyl]amino]-7H-pyrrolo[3,4-b]pyridin-5-one
CID 118348250
6-[(2,4-dimethoxyphenyl)methyl]-2-(2-fluorophenyl)-4-[(5-morpholin-4-yl-2-pyridinyl)amino]-7H-pyrrolo[3,4-b]pyridin-5-one
CID 118348262
2-(2,6-difluorophenyl)-6-[(2,4-dimethoxyphenyl)methyl]-4-[(6-morpholin-4-yl-3-pyridinyl)amino]-7H-pyrrolo[3,4-b]pyridin-5-one
CID 118348331

Frequently Asked Questions

What is the IUPAC name of 4-chloro-6-[(2,4-dimethoxyphenyl)methyl]-2-(2-fluorophenyl)-7H-pyrrolo[3,4-b]pyridin-5-one;6-[(2,4-dimethoxyphenyl)methyl]-2-(2-fluorophenyl)-4-[(5-morpholin-4-yl-2-pyridinyl)methyl]-7H-pyrrolo[3,4-b]pyridin-5-one;2-(2-fluorophenyl)-4-[(5-morpholin-4-yl-2-pyridinyl)methyl]-6,7-dihydropyrrolo[3,4-b]pyridin-5-one;5-morpholin-4-ylpyridin-2-amine?
The IUPAC name of 4-chloro-6-[(2,4-dimethoxyphenyl)methyl]-2-(2-fluorophenyl)-7H-pyrrolo[3,4-b]pyridin-5-one;6-[(2,4-dimethoxyphenyl)methyl]-2-(2-fluorophenyl)-4-[(5-morpholin-4-yl-2-pyridinyl)methyl]-7H-pyrrolo[3,4-b]pyridin-5-one;2-(2-fluorophenyl)-4-[(5-morpholin-4-yl-2-pyridinyl)methyl]-6,7-dihydropyrrolo[3,4-b]pyridin-5-one;5-morpholin-4-ylpyridin-2-amine (CID 157426175) is 4-chloro-6-[(2,4-dimethoxyphenyl)methyl]-2-(2-fluorophenyl)-7H-pyrrolo[3,4-b]pyridin-5-one;6-[(2,4-dimethoxyphenyl)methyl]-2-(2-fluorophenyl)-4-[(5-morpholin-4-yl-2-pyridinyl)methyl]-7H-pyrrolo[3,4-b]pyridin-5-one;2-(2-fluorophenyl)-4-[(5-morpholin-4-yl-2-pyridinyl)methyl]-6,7-dihydropyrrolo[3,4-b]pyridin-5-one;5-morpholin-4-ylpyridin-2-amine.
What is the SMILES notation for 4-chloro-6-[(2,4-dimethoxyphenyl)methyl]-2-(2-fluorophenyl)-7H-pyrrolo[3,4-b]pyridin-5-one;6-[(2,4-dimethoxyphenyl)methyl]-2-(2-fluorophenyl)-4-[(5-morpholin-4-yl-2-pyridinyl)methyl]-7H-pyrrolo[3,4-b]pyridin-5-one;2-(2-fluorophenyl)-4-[(5-morpholin-4-yl-2-pyridinyl)methyl]-6,7-dihydropyrrolo[3,4-b]pyridin-5-one;5-morpholin-4-ylpyridin-2-amine?
The canonical SMILES for 4-chloro-6-[(2,4-dimethoxyphenyl)methyl]-2-(2-fluorophenyl)-7H-pyrrolo[3,4-b]pyridin-5-one;6-[(2,4-dimethoxyphenyl)methyl]-2-(2-fluorophenyl)-4-[(5-morpholin-4-yl-2-pyridinyl)methyl]-7H-pyrrolo[3,4-b]pyridin-5-one;2-(2-fluorophenyl)-4-[(5-morpholin-4-yl-2-pyridinyl)methyl]-6,7-dihydropyrrolo[3,4-b]pyridin-5-one;5-morpholin-4-ylpyridin-2-amine is COc1ccc(CN2Cc3nc(-c4ccccc4F)cc(Cc4ccc(N5CCOCC5)cn4)c3C2=O)c(OC)c1.COc1ccc(CN2Cc3nc(-c4ccccc4F)cc(Cl)c3C2=O)c(OC)c1.Nc1ccc(N2CCOCC2)cn1.O=C1NCc2nc(-c3ccccc3F)cc(Cc3ccc(N4CCOCC4)cn3)c21.
What is the InChIKey of 4-chloro-6-[(2,4-dimethoxyphenyl)methyl]-2-(2-fluorophenyl)-7H-pyrrolo[3,4-b]pyridin-5-one;6-[(2,4-dimethoxyphenyl)methyl]-2-(2-fluorophenyl)-4-[(5-morpholin-4-yl-2-pyridinyl)methyl]-7H-pyrrolo[3,4-b]pyridin-5-one;2-(2-fluorophenyl)-4-[(5-morpholin-4-yl-2-pyridinyl)methyl]-6,7-dihydropyrrolo[3,4-b]pyridin-5-one;5-morpholin-4-ylpyridin-2-amine?
The InChIKey is BPZFXWSJJCZLSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H31FN4O4.C23H21FN4O2.C22H18ClFN2O3.C9H13N3O/c1-39-25-10-7-21(30(17-25)40-2)19-37-20-29-31(32(37)38)22(16-28(35-29)26-5-3-4-6-27(26)33)15-23-8-9-24(18-34-23)36-11-13-41-14-12-36;24-19-4-2-1-3-18(19)20-12-15(22-21(27-20)14-26-23(22)29)11-16-5-6-17(13-25-16)28-7-9-30-10-8-28;1-28-14-8-7-13(20(9-14)29-2)11-26-12-19-21(22(26)27)16(23)10-18(25-19)15-5-3-4-6-17(15)24;10-9-2-1-8(7-11-9)12-3-5-13-6-4-12/h3-10,16-18H,11-15,19-20H2,1-2H3;1-6,12-13H,7-11,14H2,(H,26,29);3-10H,11-12H2,1-2H3;1-2,7H,3-6H2,(H2,10,11).
What are the key properties of 4-chloro-6-[(2,4-dimethoxyphenyl)methyl]-2-(2-fluorophenyl)-7H-pyrrolo[3,4-b]pyridin-5-one;6-[(2,4-dimethoxyphenyl)methyl]-2-(2-fluorophenyl)-4-[(5-morpholin-4-yl-2-pyridinyl)methyl]-7H-pyrrolo[3,4-b]pyridin-5-one;2-(2-fluorophenyl)-4-[(5-morpholin-4-yl-2-pyridinyl)methyl]-6,7-dihydropyrrolo[3,4-b]pyridin-5-one;5-morpholin-4-ylpyridin-2-amine?
4-chloro-6-[(2,4-dimethoxyphenyl)methyl]-2-(2-fluorophenyl)-7H-pyrrolo[3,4-b]pyridin-5-one;6-[(2,4-dimethoxyphenyl)methyl]-2-(2-fluorophenyl)-4-[(5-morpholin-4-yl-2-pyridinyl)methyl]-7H-pyrrolo[3,4-b]pyridin-5-one;2-(2-fluorophenyl)-4-[(5-morpholin-4-yl-2-pyridinyl)methyl]-6,7-dihydropyrrolo[3,4-b]pyridin-5-one;5-morpholin-4-ylpyridin-2-amine has a molecular weight of 1551.14 g/mol, XLogP of 13.05, 18 rotatable bonds, 2 hydrogen bond donors, and 20 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-6-[(2,4-dimethoxyphenyl)methyl]-2-(2-fluorophenyl)-7H-pyrrolo[3,4-b]pyridin-5-one;6-[(2,4-dimethoxyphenyl)methyl]-2-(2-fluorophenyl)-4-[(5-morpholin-4-yl-2-pyridinyl)methyl]-7H-pyrrolo[3,4-b]pyridin-5-one;2-(2-fluorophenyl)-4-[(5-morpholin-4-yl-2-pyridinyl)methyl]-6,7-dihydropyrrolo[3,4-b]pyridin-5-one;5-morpholin-4-ylpyridin-2-amine is sourced from PubChem (CID 157426175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).