7-amino-4-(1-methylpyrrolo[2,3-b]pyridin-4-yl)-2,3-dihydropyrrolo[3,4-c]pyridin-1-one;tert-butyl 2-chloro-6,8-dihydro-5H-1,7-naphthyridine-7-carboxylate;tert-butyl 2-[[4-(1-methylpyrrolo[2,3-b]pyridin-4-yl)-1-oxo-2,3-dihydropyrrolo[3,4-c]pyridin-7-yl]amino]-6,8-dihydro-5H-1,7-naphthyridine-7-carboxylate;7-[(7-methyl-6,8-dihydro-5H-1,7-naphthyridin-2-yl)amino]-4-(1-methylpyrrolo[2,3-b]pyridin-4-yl)-2,3-dihydropyrrolo[3,4-c]pyridin-1-one;4-(1-methylpyrrolo[2,3-b]pyridin-4-yl)-7-(5,6,7,8-tetrahydro-1,7-naphthyridin-2-ylamino)-2,3-dihydropyrrolo[3,4-c]pyridin-1-one

C103H103ClN28O8 — CID 158404965

About 7-amino-4-(1-methylpyrrolo[2,3-b]pyridin-4-yl)-2,3-dihydropyrrolo[3,4-c]pyridin-1-one;tert-butyl 2-chloro-6,8-dihydro-5H-1,7-naphthyridine-7-carboxylate;tert-butyl 2-[[4-(1-methylpyrrolo[2,3-b]pyridin-4-yl)-1-oxo-2,3-dihydropyrrolo[3,4-c]pyridin-7-yl]amino]-6,8-dihydro-5H-1,7-naphthyridine-7-carboxylate;7-[(7-methyl-6,8-dihydro-5H-1,7-naphthyridin-2-yl)amino]-4-(1-methylpyrrolo[2,3-b]pyridin-4-yl)-2,3-dihydropyrrolo[3,4-c]pyridin-1-one;4-(1-methylpyrrolo[2,3-b]pyridin-4-yl)-7-(5,6,7,8-tetrahydro-1,7-naphthyridin-2-ylamino)-2,3-dihydropyrrolo[3,4-c]pyridin-1-one

7-amino-4-(1-methylpyrrolo[2,3-b]pyridin-4-yl)-2,3-dihydropyrrolo[3,4-c]pyridin-1-one;tert-butyl 2-chloro-6,8-dihydro-5H-1,7-naphthyridine-7-carboxylate;tert-butyl 2-[[4-(1-methylpyrrolo[2,3-b]pyridin-4-yl)-1-oxo-2,3-dihydropyrrolo[3,4-c]pyridin-7-yl]amino]-6,8-dihydro-5H-1,7-naphthyridine-7-carboxylate;7-[(7-methyl-6,8-dihydro-5H-1,7-naphthyridin-2-yl)amino]-4-(1-methylpyrrolo[2,3-b]pyridin-4-yl)-2,3-dihydropyrrolo[3,4-c]pyridin-1-one;4-(1-methylpyrrolo[2,3-b]pyridin-4-yl)-7-(5,6,7,8-tetrahydro-1,7-naphthyridin-2-ylamino)-2,3-dihydropyrrolo[3,4-c]pyridin-1-one (PubChem CID 158404965) has the molecular formula C103H103ClN28O8 and a molecular weight of 1896.60 g/mol. Its IUPAC name is 7-amino-4-(1-methylpyrrolo[2,3-b]pyridin-4-yl)-2,3-dihydropyrrolo[3,4-c]pyridin-1-one;tert-butyl 2-chloro-6,8-dihydro-5H-1,7-naphthyridine-7-carboxylate;tert-butyl 2-[[4-(1-methylpyrrolo[2,3-b]pyridin-4-yl)-1-oxo-2,3-dihydropyrrolo[3,4-c]pyridin-7-yl]amino]-6,8-dihydro-5H-1,7-naphthyridine-7-carboxylate;7-[(7-methyl-6,8-dihydro-5H-1,7-naphthyridin-2-yl)amino]-4-(1-methylpyrrolo[2,3-b]pyridin-4-yl)-2,3-dihydropyrrolo[3,4-c]pyridin-1-one;4-(1-methylpyrrolo[2,3-b]pyridin-4-yl)-7-(5,6,7,8-tetrahydro-1,7-naphthyridin-2-ylamino)-2,3-dihydropyrrolo[3,4-c]pyridin-1-one.

Molecular Properties

• Compound Name: 7-amino-4-(1-methylpyrrolo[2,3-b]pyridin-4-yl)-2,3-dihydropyrrolo[3,4-c]pyridin-1-one;tert-butyl 2-chloro-6,8-dihydro-5H-1,7-naphthyridine-7-carboxylate;tert-butyl 2-[[4-(1-methylpyrrolo[2,3-b]pyridin-4-yl)-1-oxo-2,3-dihydropyrrolo[3,4-c]pyridin-7-yl]amino]-6,8-dihydro-5H-1,7-naphthyridine-7-carboxylate;7-[(7-methyl-6,8-dihydro-5H-1,7-naphthyridin-2-yl)amino]-4-(1-methylpyrrolo[2,3-b]pyridin-4-yl)-2,3-dihydropyrrolo[3,4-c]pyridin-1-one;4-(1-methylpyrrolo[2,3-b]pyridin-4-yl)-7-(5,6,7,8-tetrahydro-1,7-naphthyridin-2-ylamino)-2,3-dihydropyrrolo[3,4-c]pyridin-1-one
• PubChem CID: 158404965
• Molecular Formula: C103H103ClN28O8
• Molecular Weight: 1896.60 g/mol
• Exact Mass: 1894.82
• IUPAC Name: 7-amino-4-(1-methylpyrrolo[2,3-b]pyridin-4-yl)-2,3-dihydropyrrolo[3,4-c]pyridin-1-one;tert-butyl 2-chloro-6,8-dihydro-5H-1,7-naphthyridine-7-carboxylate;tert-butyl 2-[[4-(1-methylpyrrolo[2,3-b]pyridin-4-yl)-1-oxo-2,3-dihydropyrrolo[3,4-c]pyridin-7-yl]amino]-6,8-dihydro-5H-1,7-naphthyridine-7-carboxylate;7-[(7-methyl-6,8-dihydro-5H-1,7-naphthyridin-2-yl)amino]-4-(1-methylpyrrolo[2,3-b]pyridin-4-yl)-2,3-dihydropyrrolo[3,4-c]pyridin-1-one;4-(1-methylpyrrolo[2,3-b]pyridin-4-yl)-7-(5,6,7,8-tetrahydro-1,7-naphthyridin-2-ylamino)-2,3-dihydropyrrolo[3,4-c]pyridin-1-one
• SMILES: CC(C)(C)OC(=O)N1CCc2ccc(Cl)nc2C1.CN1CCc2ccc(Nc3cnc(-c4ccnc5c4ccn5C)c4c3C(=O)NC4)nc2C1.Cn1ccc2c(-c3ncc(N)c4c3CNC4=O)ccnc21.Cn1ccc2c(-c3ncc(Nc4ccc5c(n4)CN(C(=O)OC(C)(C)C)CC5)c4c3CNC4=O)ccnc21.Cn1ccc2c(-c3ncc(Nc4ccc5c(n4)CNCC5)c4c3CNC4=O)ccnc21
• InChI: InChI=1S/C28H29N7O3.C24H23N7O.C23H21N7O.C15H13N5O.C13H17ClN2O2/c1-28(2,3)38-27(37)35-12-8-16-5-6-22(33-21(16)15-35)32-20-14-30-24(19-13-31-26(36)23(19)20)17-7-10-29-25-18(17)9-11-34(25)4;1-30-9-6-14-3-4-20(29-19(14)13-30)28-18-12-26-22(17-11-27-24(32)21(17)18)15-5-8-25-23-16(15)7-10-31(23)2;1-30-9-6-15-14(5-8-25-22(15)30)21-16-10-27-23(31)20(16)18(12-26-21)29-19-3-2-13-4-7-24-11-17(13)28-19;1-20-5-3-9-8(2-4-17-14(9)20)13-10-6-19-15(21)12(10)11(16)7-18-13;1-13(2,3)18-12(17)16-7-6-9-4-5-11(14)15-10(9)8-16/h5-7,9-11,14H,8,12-13,15H2,1-4H3,(H,31,36)(H,32,33);3-5,7-8,10,12H,6,9,11,13H2,1-2H3,(H,27,32)(H,28,29);2-3,5-6,8-9,12,24H,4,7,10-11H2,1H3,(H,27,31)(H,28,29);2-5,7H,6,16H2,1H3,(H,19,21);4-5H,6-8H2,1-3H3
• InChIKey: GYOKVVULMITOFA-UHFFFAOYSA-N
• XLogP: 14.47
• TPSA: 427.26 Ų
• H-Bond Donors: 9
• H-Bond Acceptors: 30
• Rotatable Bonds: 10
• Heavy Atoms: 140
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1896.60
LogP ≤ 5	14.47
H-Bond Donors ≤ 5	9
H-Bond Acceptors ≤ 10	30

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 7-amino-4-(1-methylpyrrolo[2,3-b]pyridin-4-yl)-2,3-dihydropyrrolo[3,4-c]pyridin-1-one;tert-butyl 2-chloro-6,8-dihydro-5H-1,7-naphthyridine-7-carboxylate;tert-butyl 2-[[4-(1-methylpyrrolo[2,3-b]pyridin-4-yl)-1-oxo-2,3-dihydropyrrolo[3,4-c]pyridin-7-yl]amino]-6,8-dihydro-5H-1,7-naphthyridine-7-carboxylate;7-[(7-methyl-6,8-dihydro-5H-1,7-naphthyridin-2-yl)amino]-4-(1-methylpyrrolo[2,3-b]pyridin-4-yl)-2,3-dihydropyrrolo[3,4-c]pyridin-1-one;4-(1-methylpyrrolo[2,3-b]pyridin-4-yl)-7-(5,6,7,8-tetrahydro-1,7-naphthyridin-2-ylamino)-2,3-dihydropyrrolo[3,4-c]pyridin-1-one?

The IUPAC name of 7-amino-4-(1-methylpyrrolo[2,3-b]pyridin-4-yl)-2,3-dihydropyrrolo[3,4-c]pyridin-1-one;tert-butyl 2-chloro-6,8-dihydro-5H-1,7-naphthyridine-7-carboxylate;tert-butyl 2-[[4-(1-methylpyrrolo[2,3-b]pyridin-4-yl)-1-oxo-2,3-dihydropyrrolo[3,4-c]pyridin-7-yl]amino]-6,8-dihydro-5H-1,7-naphthyridine-7-carboxylate;7-[(7-methyl-6,8-dihydro-5H-1,7-naphthyridin-2-yl)amino]-4-(1-methylpyrrolo[2,3-b]pyridin-4-yl)-2,3-dihydropyrrolo[3,4-c]pyridin-1-one;4-(1-methylpyrrolo[2,3-b]pyridin-4-yl)-7-(5,6,7,8-tetrahydro-1,7-naphthyridin-2-ylamino)-2,3-dihydropyrrolo[3,4-c]pyridin-1-one (CID 158404965) is 7-amino-4-(1-methylpyrrolo[2,3-b]pyridin-4-yl)-2,3-dihydropyrrolo[3,4-c]pyridin-1-one;tert-butyl 2-chloro-6,8-dihydro-5H-1,7-naphthyridine-7-carboxylate;tert-butyl 2-[[4-(1-methylpyrrolo[2,3-b]pyridin-4-yl)-1-oxo-2,3-dihydropyrrolo[3,4-c]pyridin-7-yl]amino]-6,8-dihydro-5H-1,7-naphthyridine-7-carboxylate;7-[(7-methyl-6,8-dihydro-5H-1,7-naphthyridin-2-yl)amino]-4-(1-methylpyrrolo[2,3-b]pyridin-4-yl)-2,3-dihydropyrrolo[3,4-c]pyridin-1-one;4-(1-methylpyrrolo[2,3-b]pyridin-4-yl)-7-(5,6,7,8-tetrahydro-1,7-naphthyridin-2-ylamino)-2,3-dihydropyrrolo[3,4-c]pyridin-1-one.

What is the SMILES notation for 7-amino-4-(1-methylpyrrolo[2,3-b]pyridin-4-yl)-2,3-dihydropyrrolo[3,4-c]pyridin-1-one;tert-butyl 2-chloro-6,8-dihydro-5H-1,7-naphthyridine-7-carboxylate;tert-butyl 2-[[4-(1-methylpyrrolo[2,3-b]pyridin-4-yl)-1-oxo-2,3-dihydropyrrolo[3,4-c]pyridin-7-yl]amino]-6,8-dihydro-5H-1,7-naphthyridine-7-carboxylate;7-[(7-methyl-6,8-dihydro-5H-1,7-naphthyridin-2-yl)amino]-4-(1-methylpyrrolo[2,3-b]pyridin-4-yl)-2,3-dihydropyrrolo[3,4-c]pyridin-1-one;4-(1-methylpyrrolo[2,3-b]pyridin-4-yl)-7-(5,6,7,8-tetrahydro-1,7-naphthyridin-2-ylamino)-2,3-dihydropyrrolo[3,4-c]pyridin-1-one?

The canonical SMILES for 7-amino-4-(1-methylpyrrolo[2,3-b]pyridin-4-yl)-2,3-dihydropyrrolo[3,4-c]pyridin-1-one;tert-butyl 2-chloro-6,8-dihydro-5H-1,7-naphthyridine-7-carboxylate;tert-butyl 2-[[4-(1-methylpyrrolo[2,3-b]pyridin-4-yl)-1-oxo-2,3-dihydropyrrolo[3,4-c]pyridin-7-yl]amino]-6,8-dihydro-5H-1,7-naphthyridine-7-carboxylate;7-[(7-methyl-6,8-dihydro-5H-1,7-naphthyridin-2-yl)amino]-4-(1-methylpyrrolo[2,3-b]pyridin-4-yl)-2,3-dihydropyrrolo[3,4-c]pyridin-1-one;4-(1-methylpyrrolo[2,3-b]pyridin-4-yl)-7-(5,6,7,8-tetrahydro-1,7-naphthyridin-2-ylamino)-2,3-dihydropyrrolo[3,4-c]pyridin-1-one is CC(C)(C)OC(=O)N1CCc2ccc(Cl)nc2C1.CN1CCc2ccc(Nc3cnc(-c4ccnc5c4ccn5C)c4c3C(=O)NC4)nc2C1.Cn1ccc2c(-c3ncc(N)c4c3CNC4=O)ccnc21.Cn1ccc2c(-c3ncc(Nc4ccc5c(n4)CN(C(=O)OC(C)(C)C)CC5)c4c3CNC4=O)ccnc21.Cn1ccc2c(-c3ncc(Nc4ccc5c(n4)CNCC5)c4c3CNC4=O)ccnc21.

What is the InChIKey of 7-amino-4-(1-methylpyrrolo[2,3-b]pyridin-4-yl)-2,3-dihydropyrrolo[3,4-c]pyridin-1-one;tert-butyl 2-chloro-6,8-dihydro-5H-1,7-naphthyridine-7-carboxylate;tert-butyl 2-[[4-(1-methylpyrrolo[2,3-b]pyridin-4-yl)-1-oxo-2,3-dihydropyrrolo[3,4-c]pyridin-7-yl]amino]-6,8-dihydro-5H-1,7-naphthyridine-7-carboxylate;7-[(7-methyl-6,8-dihydro-5H-1,7-naphthyridin-2-yl)amino]-4-(1-methylpyrrolo[2,3-b]pyridin-4-yl)-2,3-dihydropyrrolo[3,4-c]pyridin-1-one;4-(1-methylpyrrolo[2,3-b]pyridin-4-yl)-7-(5,6,7,8-tetrahydro-1,7-naphthyridin-2-ylamino)-2,3-dihydropyrrolo[3,4-c]pyridin-1-one?

The InChIKey is GYOKVVULMITOFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H29N7O3.C24H23N7O.C23H21N7O.C15H13N5O.C13H17ClN2O2/c1-28(2,3)38-27(37)35-12-8-16-5-6-22(33-21(16)15-35)32-20-14-30-24(19-13-31-26(36)23(19)20)17-7-10-29-25-18(17)9-11-34(25)4;1-30-9-6-14-3-4-20(29-19(14)13-30)28-18-12-26-22(17-11-27-24(32)21(17)18)15-5-8-25-23-16(15)7-10-31(23)2;1-30-9-6-15-14(5-8-25-22(15)30)21-16-10-27-23(31)20(16)18(12-26-21)29-19-3-2-13-4-7-24-11-17(13)28-19;1-20-5-3-9-8(2-4-17-14(9)20)13-10-6-19-15(21)12(10)11(16)7-18-13;1-13(2,3)18-12(17)16-7-6-9-4-5-11(14)15-10(9)8-16/h5-7,9-11,14H,8,12-13,15H2,1-4H3,(H,31,36)(H,32,33);3-5,7-8,10,12H,6,9,11,13H2,1-2H3,(H,27,32)(H,28,29);2-3,5-6,8-9,12,24H,4,7,10-11H2,1H3,(H,27,31)(H,28,29);2-5,7H,6,16H2,1H3,(H,19,21);4-5H,6-8H2,1-3H3.

What are the key properties of 7-amino-4-(1-methylpyrrolo[2,3-b]pyridin-4-yl)-2,3-dihydropyrrolo[3,4-c]pyridin-1-one;tert-butyl 2-chloro-6,8-dihydro-5H-1,7-naphthyridine-7-carboxylate;tert-butyl 2-[[4-(1-methylpyrrolo[2,3-b]pyridin-4-yl)-1-oxo-2,3-dihydropyrrolo[3,4-c]pyridin-7-yl]amino]-6,8-dihydro-5H-1,7-naphthyridine-7-carboxylate;7-[(7-methyl-6,8-dihydro-5H-1,7-naphthyridin-2-yl)amino]-4-(1-methylpyrrolo[2,3-b]pyridin-4-yl)-2,3-dihydropyrrolo[3,4-c]pyridin-1-one;4-(1-methylpyrrolo[2,3-b]pyridin-4-yl)-7-(5,6,7,8-tetrahydro-1,7-naphthyridin-2-ylamino)-2,3-dihydropyrrolo[3,4-c]pyridin-1-one?

7-amino-4-(1-methylpyrrolo[2,3-b]pyridin-4-yl)-2,3-dihydropyrrolo[3,4-c]pyridin-1-one;tert-butyl 2-chloro-6,8-dihydro-5H-1,7-naphthyridine-7-carboxylate;tert-butyl 2-[[4-(1-methylpyrrolo[2,3-b]pyridin-4-yl)-1-oxo-2,3-dihydropyrrolo[3,4-c]pyridin-7-yl]amino]-6,8-dihydro-5H-1,7-naphthyridine-7-carboxylate;7-[(7-methyl-6,8-dihydro-5H-1,7-naphthyridin-2-yl)amino]-4-(1-methylpyrrolo[2,3-b]pyridin-4-yl)-2,3-dihydropyrrolo[3,4-c]pyridin-1-one;4-(1-methylpyrrolo[2,3-b]pyridin-4-yl)-7-(5,6,7,8-tetrahydro-1,7-naphthyridin-2-ylamino)-2,3-dihydropyrrolo[3,4-c]pyridin-1-one has a molecular weight of 1896.60 g/mol, XLogP of 14.47, 10 rotatable bonds, 9 hydrogen bond donors, and 30 hydrogen bond acceptors.

Where does this data come from?

All data for 7-amino-4-(1-methylpyrrolo[2,3-b]pyridin-4-yl)-2,3-dihydropyrrolo[3,4-c]pyridin-1-one;tert-butyl 2-chloro-6,8-dihydro-5H-1,7-naphthyridine-7-carboxylate;tert-butyl 2-[[4-(1-methylpyrrolo[2,3-b]pyridin-4-yl)-1-oxo-2,3-dihydropyrrolo[3,4-c]pyridin-7-yl]amino]-6,8-dihydro-5H-1,7-naphthyridine-7-carboxylate;7-[(7-methyl-6,8-dihydro-5H-1,7-naphthyridin-2-yl)amino]-4-(1-methylpyrrolo[2,3-b]pyridin-4-yl)-2,3-dihydropyrrolo[3,4-c]pyridin-1-one;4-(1-methylpyrrolo[2,3-b]pyridin-4-yl)-7-(5,6,7,8-tetrahydro-1,7-naphthyridin-2-ylamino)-2,3-dihydropyrrolo[3,4-c]pyridin-1-one is sourced from PubChem (CID 158404965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).