4-amino-2-methyl-8-(2-pyrrolidin-1-ylethoxy)-5H-chromeno[2,3-b]pyridine-3-carbonitrile;7-[7-(1-benzothiophen-2-yl)-1H-indazol-6-yl]-2-methyl-5H-pyrrolo[3,2-d]pyrimidine;7-N-(4-ethoxyphenyl)-6-methyl-5-N-[(3S)-piperidin-3-yl]pyrazolo[1,5-a]pyrimidine-5,7-diamine;3-[[2-(2-fluorophenyl)-4-pyridinyl]amino]-4-[[(1R)-1-phenylethyl]amino]cyclobut-3-ene-1,2-dione;2-[2-(2-fluorophenyl)-4-pyridinyl]-1,5,6,7-tetrahydroindol-4-one;5-methoxy-11-methyl-9,12-diazatetracyclo[10.2.1.02,10.03,8]pentadeca-2(10),3(8),4,6-tetraene;propyl 5-methoxy-9,12-diazatetracyclo[10.2.1.02,10.03,8]pentadeca-2(10),3(8),4,6-tetraene-11-carboxylate

C137H136F2N24O10S — CID 157448551

About 4-amino-2-methyl-8-(2-pyrrolidin-1-ylethoxy)-5H-chromeno[2,3-b]pyridine-3-carbonitrile;7-[7-(1-benzothiophen-2-yl)-1H-indazol-6-yl]-2-methyl-5H-pyrrolo[3,2-d]pyrimidine;7-N-(4-ethoxyphenyl)-6-methyl-5-N-[(3S)-piperidin-3-yl]pyrazolo[1,5-a]pyrimidine-5,7-diamine;3-[[2-(2-fluorophenyl)-4-pyridinyl]amino]-4-[[(1R)-1-phenylethyl]amino]cyclobut-3-ene-1,2-dione;2-[2-(2-fluorophenyl)-4-pyridinyl]-1,5,6,7-tetrahydroindol-4-one;5-methoxy-11-methyl-9,12-diazatetracyclo[10.2.1.02,10.03,8]pentadeca-2(10),3(8),4,6-tetraene;propyl 5-methoxy-9,12-diazatetracyclo[10.2.1.02,10.03,8]pentadeca-2(10),3(8),4,6-tetraene-11-carboxylate

4-amino-2-methyl-8-(2-pyrrolidin-1-ylethoxy)-5H-chromeno[2,3-b]pyridine-3-carbonitrile;7-[7-(1-benzothiophen-2-yl)-1H-indazol-6-yl]-2-methyl-5H-pyrrolo[3,2-d]pyrimidine;7-N-(4-ethoxyphenyl)-6-methyl-5-N-[(3S)-piperidin-3-yl]pyrazolo[1,5-a]pyrimidine-5,7-diamine;3-[[2-(2-fluorophenyl)-4-pyridinyl]amino]-4-[[(1R)-1-phenylethyl]amino]cyclobut-3-ene-1,2-dione;2-[2-(2-fluorophenyl)-4-pyridinyl]-1,5,6,7-tetrahydroindol-4-one;5-methoxy-11-methyl-9,12-diazatetracyclo[10.2.1.02,10.03,8]pentadeca-2(10),3(8),4,6-tetraene;propyl 5-methoxy-9,12-diazatetracyclo[10.2.1.02,10.03,8]pentadeca-2(10),3(8),4,6-tetraene-11-carboxylate (PubChem CID 157448551) has the molecular formula C137H136F2N24O10S and a molecular weight of 2348.82 g/mol. Its IUPAC name is 4-amino-2-methyl-8-(2-pyrrolidin-1-ylethoxy)-5H-chromeno[2,3-b]pyridine-3-carbonitrile;7-[7-(1-benzothiophen-2-yl)-1H-indazol-6-yl]-2-methyl-5H-pyrrolo[3,2-d]pyrimidine;7-N-(4-ethoxyphenyl)-6-methyl-5-N-[(3S)-piperidin-3-yl]pyrazolo[1,5-a]pyrimidine-5,7-diamine;3-[[2-(2-fluorophenyl)-4-pyridinyl]amino]-4-[[(1R)-1-phenylethyl]amino]cyclobut-3-ene-1,2-dione;2-[2-(2-fluorophenyl)-4-pyridinyl]-1,5,6,7-tetrahydroindol-4-one;5-methoxy-11-methyl-9,12-diazatetracyclo[10.2.1.02,10.03,8]pentadeca-2(10),3(8),4,6-tetraene;propyl 5-methoxy-9,12-diazatetracyclo[10.2.1.02,10.03,8]pentadeca-2(10),3(8),4,6-tetraene-11-carboxylate.

Molecular Properties

• Compound Name: 4-amino-2-methyl-8-(2-pyrrolidin-1-ylethoxy)-5H-chromeno[2,3-b]pyridine-3-carbonitrile;7-[7-(1-benzothiophen-2-yl)-1H-indazol-6-yl]-2-methyl-5H-pyrrolo[3,2-d]pyrimidine;7-N-(4-ethoxyphenyl)-6-methyl-5-N-[(3S)-piperidin-3-yl]pyrazolo[1,5-a]pyrimidine-5,7-diamine;3-[[2-(2-fluorophenyl)-4-pyridinyl]amino]-4-[[(1R)-1-phenylethyl]amino]cyclobut-3-ene-1,2-dione;2-[2-(2-fluorophenyl)-4-pyridinyl]-1,5,6,7-tetrahydroindol-4-one;5-methoxy-11-methyl-9,12-diazatetracyclo[10.2.1.02,10.03,8]pentadeca-2(10),3(8),4,6-tetraene;propyl 5-methoxy-9,12-diazatetracyclo[10.2.1.02,10.03,8]pentadeca-2(10),3(8),4,6-tetraene-11-carboxylate
• PubChem CID: 157448551
• Molecular Formula: C137H136F2N24O10S
• Molecular Weight: 2348.82 g/mol
• Exact Mass: 2347.06
• IUPAC Name: 4-amino-2-methyl-8-(2-pyrrolidin-1-ylethoxy)-5H-chromeno[2,3-b]pyridine-3-carbonitrile;7-[7-(1-benzothiophen-2-yl)-1H-indazol-6-yl]-2-methyl-5H-pyrrolo[3,2-d]pyrimidine;7-N-(4-ethoxyphenyl)-6-methyl-5-N-[(3S)-piperidin-3-yl]pyrazolo[1,5-a]pyrimidine-5,7-diamine;3-[[2-(2-fluorophenyl)-4-pyridinyl]amino]-4-[[(1R)-1-phenylethyl]amino]cyclobut-3-ene-1,2-dione;2-[2-(2-fluorophenyl)-4-pyridinyl]-1,5,6,7-tetrahydroindol-4-one;5-methoxy-11-methyl-9,12-diazatetracyclo[10.2.1.02,10.03,8]pentadeca-2(10),3(8),4,6-tetraene;propyl 5-methoxy-9,12-diazatetracyclo[10.2.1.02,10.03,8]pentadeca-2(10),3(8),4,6-tetraene-11-carboxylate
• SMILES: CCCOC(=O)C1c2[nH]c3ccc(OC)cc3c2C2CCN1C2.CCOc1ccc(Nc2c(C)c(N[C@H]3CCCNC3)nc3ccnn23)cc1.COc1ccc2[nH]c3c(c2c1)C1CCN(C1)C3C.C[C@@H](Nc1c(Nc2ccnc(-c3ccccc3F)c2)c(=O)c1=O)c1ccccc1.Cc1nc2c(c(N)c1C#N)Cc1ccc(OCCN3CCCC3)cc1O2.Cc1ncc2[nH]cc(-c3ccc4cn[nH]c4c3-c3cc4ccccc4s3)c2n1.O=C1CCCc2[nH]c(-c3ccnc(-c4ccccc4F)c3)cc21
• InChI: InChI=1S/C23H18FN3O2.C22H15N5S.C20H26N6O.C20H22N4O2.C19H15FN2O.C18H22N2O3.C15H18N2O/c1-14(15-7-3-2-4-8-15)26-20-21(23(29)22(20)28)27-16-11-12-25-19(13-16)17-9-5-6-10-18(17)24;1-12-23-11-17-22(26-12)16(10-24-17)15-7-6-14-9-25-27-21(14)20(15)19-8-13-4-2-3-5-18(13)28-19;1-3-27-17-8-6-15(7-9-17)24-20-14(2)19(23-16-5-4-11-21-13-16)25-18-10-12-22-26(18)20;1-13-17(12-21)19(22)16-10-14-4-5-15(11-18(14)26-20(16)23-13)25-9-8-24-6-2-3-7-24;20-15-5-2-1-4-13(15)18-10-12(8-9-21-18)17-11-14-16(22-17)6-3-7-19(14)23;1-3-8-23-18(21)17-16-15(11-6-7-20(17)10-11)13-9-12(22-2)4-5-14(13)19-16;1-9-15-14(10-5-6-17(9)8-10)12-7-11(18-2)3-4-13(12)16-15/h2-14,26H,1H3,(H,25,27);2-11,24H,1H3,(H,25,27);6-10,12,16,21,24H,3-5,11,13H2,1-2H3,(H,23,25);4-5,11H,2-3,6-10H2,1H3,(H2,22,23);1-2,4-5,8-11,22H,3,6-7H2;4-5,9,11,17,19H,3,6-8,10H2,1-2H3;3-4,7,9-10,16H,5-6,8H2,1-2H3/t14-;;16-;;;;/m1.0..../s1
• InChIKey: BSNDNCYCFNAQCU-COJJIGRHSA-N
• XLogP: 26.87
• TPSA: 429.82 Ų
• H-Bond Donors: 11
• H-Bond Acceptors: 30
• Rotatable Bonds: 25
• Heavy Atoms: 174
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2348.82
LogP ≤ 5	26.87
H-Bond Donors ≤ 5	11
H-Bond Acceptors ≤ 10	30

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}, {'alert_name': 'diketo_group', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 4-amino-2-methyl-8-(2-pyrrolidin-1-ylethoxy)-5H-chromeno[2,3-b]pyridine-3-carbonitrile;7-[7-(1-benzothiophen-2-yl)-1H-indazol-6-yl]-2-methyl-5H-pyrrolo[3,2-d]pyrimidine;7-N-(4-ethoxyphenyl)-6-methyl-5-N-[(3S)-piperidin-3-yl]pyrazolo[1,5-a]pyrimidine-5,7-diamine;3-[[2-(2-fluorophenyl)-4-pyridinyl]amino]-4-[[(1R)-1-phenylethyl]amino]cyclobut-3-ene-1,2-dione;2-[2-(2-fluorophenyl)-4-pyridinyl]-1,5,6,7-tetrahydroindol-4-one;5-methoxy-11-methyl-9,12-diazatetracyclo[10.2.1.02,10.03,8]pentadeca-2(10),3(8),4,6-tetraene;propyl 5-methoxy-9,12-diazatetracyclo[10.2.1.02,10.03,8]pentadeca-2(10),3(8),4,6-tetraene-11-carboxylate?

The IUPAC name of 4-amino-2-methyl-8-(2-pyrrolidin-1-ylethoxy)-5H-chromeno[2,3-b]pyridine-3-carbonitrile;7-[7-(1-benzothiophen-2-yl)-1H-indazol-6-yl]-2-methyl-5H-pyrrolo[3,2-d]pyrimidine;7-N-(4-ethoxyphenyl)-6-methyl-5-N-[(3S)-piperidin-3-yl]pyrazolo[1,5-a]pyrimidine-5,7-diamine;3-[[2-(2-fluorophenyl)-4-pyridinyl]amino]-4-[[(1R)-1-phenylethyl]amino]cyclobut-3-ene-1,2-dione;2-[2-(2-fluorophenyl)-4-pyridinyl]-1,5,6,7-tetrahydroindol-4-one;5-methoxy-11-methyl-9,12-diazatetracyclo[10.2.1.02,10.03,8]pentadeca-2(10),3(8),4,6-tetraene;propyl 5-methoxy-9,12-diazatetracyclo[10.2.1.02,10.03,8]pentadeca-2(10),3(8),4,6-tetraene-11-carboxylate (CID 157448551) is 4-amino-2-methyl-8-(2-pyrrolidin-1-ylethoxy)-5H-chromeno[2,3-b]pyridine-3-carbonitrile;7-[7-(1-benzothiophen-2-yl)-1H-indazol-6-yl]-2-methyl-5H-pyrrolo[3,2-d]pyrimidine;7-N-(4-ethoxyphenyl)-6-methyl-5-N-[(3S)-piperidin-3-yl]pyrazolo[1,5-a]pyrimidine-5,7-diamine;3-[[2-(2-fluorophenyl)-4-pyridinyl]amino]-4-[[(1R)-1-phenylethyl]amino]cyclobut-3-ene-1,2-dione;2-[2-(2-fluorophenyl)-4-pyridinyl]-1,5,6,7-tetrahydroindol-4-one;5-methoxy-11-methyl-9,12-diazatetracyclo[10.2.1.02,10.03,8]pentadeca-2(10),3(8),4,6-tetraene;propyl 5-methoxy-9,12-diazatetracyclo[10.2.1.02,10.03,8]pentadeca-2(10),3(8),4,6-tetraene-11-carboxylate.

What is the SMILES notation for 4-amino-2-methyl-8-(2-pyrrolidin-1-ylethoxy)-5H-chromeno[2,3-b]pyridine-3-carbonitrile;7-[7-(1-benzothiophen-2-yl)-1H-indazol-6-yl]-2-methyl-5H-pyrrolo[3,2-d]pyrimidine;7-N-(4-ethoxyphenyl)-6-methyl-5-N-[(3S)-piperidin-3-yl]pyrazolo[1,5-a]pyrimidine-5,7-diamine;3-[[2-(2-fluorophenyl)-4-pyridinyl]amino]-4-[[(1R)-1-phenylethyl]amino]cyclobut-3-ene-1,2-dione;2-[2-(2-fluorophenyl)-4-pyridinyl]-1,5,6,7-tetrahydroindol-4-one;5-methoxy-11-methyl-9,12-diazatetracyclo[10.2.1.02,10.03,8]pentadeca-2(10),3(8),4,6-tetraene;propyl 5-methoxy-9,12-diazatetracyclo[10.2.1.02,10.03,8]pentadeca-2(10),3(8),4,6-tetraene-11-carboxylate?

The canonical SMILES for 4-amino-2-methyl-8-(2-pyrrolidin-1-ylethoxy)-5H-chromeno[2,3-b]pyridine-3-carbonitrile;7-[7-(1-benzothiophen-2-yl)-1H-indazol-6-yl]-2-methyl-5H-pyrrolo[3,2-d]pyrimidine;7-N-(4-ethoxyphenyl)-6-methyl-5-N-[(3S)-piperidin-3-yl]pyrazolo[1,5-a]pyrimidine-5,7-diamine;3-[[2-(2-fluorophenyl)-4-pyridinyl]amino]-4-[[(1R)-1-phenylethyl]amino]cyclobut-3-ene-1,2-dione;2-[2-(2-fluorophenyl)-4-pyridinyl]-1,5,6,7-tetrahydroindol-4-one;5-methoxy-11-methyl-9,12-diazatetracyclo[10.2.1.02,10.03,8]pentadeca-2(10),3(8),4,6-tetraene;propyl 5-methoxy-9,12-diazatetracyclo[10.2.1.02,10.03,8]pentadeca-2(10),3(8),4,6-tetraene-11-carboxylate is CCCOC(=O)C1c2[nH]c3ccc(OC)cc3c2C2CCN1C2.CCOc1ccc(Nc2c(C)c(N[C@H]3CCCNC3)nc3ccnn23)cc1.COc1ccc2[nH]c3c(c2c1)C1CCN(C1)C3C.C[C@@H](Nc1c(Nc2ccnc(-c3ccccc3F)c2)c(=O)c1=O)c1ccccc1.Cc1nc2c(c(N)c1C#N)Cc1ccc(OCCN3CCCC3)cc1O2.Cc1ncc2[nH]cc(-c3ccc4cn[nH]c4c3-c3cc4ccccc4s3)c2n1.O=C1CCCc2[nH]c(-c3ccnc(-c4ccccc4F)c3)cc21.

What is the InChIKey of 4-amino-2-methyl-8-(2-pyrrolidin-1-ylethoxy)-5H-chromeno[2,3-b]pyridine-3-carbonitrile;7-[7-(1-benzothiophen-2-yl)-1H-indazol-6-yl]-2-methyl-5H-pyrrolo[3,2-d]pyrimidine;7-N-(4-ethoxyphenyl)-6-methyl-5-N-[(3S)-piperidin-3-yl]pyrazolo[1,5-a]pyrimidine-5,7-diamine;3-[[2-(2-fluorophenyl)-4-pyridinyl]amino]-4-[[(1R)-1-phenylethyl]amino]cyclobut-3-ene-1,2-dione;2-[2-(2-fluorophenyl)-4-pyridinyl]-1,5,6,7-tetrahydroindol-4-one;5-methoxy-11-methyl-9,12-diazatetracyclo[10.2.1.02,10.03,8]pentadeca-2(10),3(8),4,6-tetraene;propyl 5-methoxy-9,12-diazatetracyclo[10.2.1.02,10.03,8]pentadeca-2(10),3(8),4,6-tetraene-11-carboxylate?

The InChIKey is BSNDNCYCFNAQCU-COJJIGRHSA-N. The full InChI is InChI=1S/C23H18FN3O2.C22H15N5S.C20H26N6O.C20H22N4O2.C19H15FN2O.C18H22N2O3.C15H18N2O/c1-14(15-7-3-2-4-8-15)26-20-21(23(29)22(20)28)27-16-11-12-25-19(13-16)17-9-5-6-10-18(17)24;1-12-23-11-17-22(26-12)16(10-24-17)15-7-6-14-9-25-27-21(14)20(15)19-8-13-4-2-3-5-18(13)28-19;1-3-27-17-8-6-15(7-9-17)24-20-14(2)19(23-16-5-4-11-21-13-16)25-18-10-12-22-26(18)20;1-13-17(12-21)19(22)16-10-14-4-5-15(11-18(14)26-20(16)23-13)25-9-8-24-6-2-3-7-24;20-15-5-2-1-4-13(15)18-10-12(8-9-21-18)17-11-14-16(22-17)6-3-7-19(14)23;1-3-8-23-18(21)17-16-15(11-6-7-20(17)10-11)13-9-12(22-2)4-5-14(13)19-16;1-9-15-14(10-5-6-17(9)8-10)12-7-11(18-2)3-4-13(12)16-15/h2-14,26H,1H3,(H,25,27);2-11,24H,1H3,(H,25,27);6-10,12,16,21,24H,3-5,11,13H2,1-2H3,(H,23,25);4-5,11H,2-3,6-10H2,1H3,(H2,22,23);1-2,4-5,8-11,22H,3,6-7H2;4-5,9,11,17,19H,3,6-8,10H2,1-2H3;3-4,7,9-10,16H,5-6,8H2,1-2H3/t14-;;16-;;;;/m1.0..../s1.

What are the key properties of 4-amino-2-methyl-8-(2-pyrrolidin-1-ylethoxy)-5H-chromeno[2,3-b]pyridine-3-carbonitrile;7-[7-(1-benzothiophen-2-yl)-1H-indazol-6-yl]-2-methyl-5H-pyrrolo[3,2-d]pyrimidine;7-N-(4-ethoxyphenyl)-6-methyl-5-N-[(3S)-piperidin-3-yl]pyrazolo[1,5-a]pyrimidine-5,7-diamine;3-[[2-(2-fluorophenyl)-4-pyridinyl]amino]-4-[[(1R)-1-phenylethyl]amino]cyclobut-3-ene-1,2-dione;2-[2-(2-fluorophenyl)-4-pyridinyl]-1,5,6,7-tetrahydroindol-4-one;5-methoxy-11-methyl-9,12-diazatetracyclo[10.2.1.02,10.03,8]pentadeca-2(10),3(8),4,6-tetraene;propyl 5-methoxy-9,12-diazatetracyclo[10.2.1.02,10.03,8]pentadeca-2(10),3(8),4,6-tetraene-11-carboxylate?

4-amino-2-methyl-8-(2-pyrrolidin-1-ylethoxy)-5H-chromeno[2,3-b]pyridine-3-carbonitrile;7-[7-(1-benzothiophen-2-yl)-1H-indazol-6-yl]-2-methyl-5H-pyrrolo[3,2-d]pyrimidine;7-N-(4-ethoxyphenyl)-6-methyl-5-N-[(3S)-piperidin-3-yl]pyrazolo[1,5-a]pyrimidine-5,7-diamine;3-[[2-(2-fluorophenyl)-4-pyridinyl]amino]-4-[[(1R)-1-phenylethyl]amino]cyclobut-3-ene-1,2-dione;2-[2-(2-fluorophenyl)-4-pyridinyl]-1,5,6,7-tetrahydroindol-4-one;5-methoxy-11-methyl-9,12-diazatetracyclo[10.2.1.02,10.03,8]pentadeca-2(10),3(8),4,6-tetraene;propyl 5-methoxy-9,12-diazatetracyclo[10.2.1.02,10.03,8]pentadeca-2(10),3(8),4,6-tetraene-11-carboxylate has a molecular weight of 2348.82 g/mol, XLogP of 26.87, 25 rotatable bonds, 11 hydrogen bond donors, and 30 hydrogen bond acceptors.

Where does this data come from?

All data for 4-amino-2-methyl-8-(2-pyrrolidin-1-ylethoxy)-5H-chromeno[2,3-b]pyridine-3-carbonitrile;7-[7-(1-benzothiophen-2-yl)-1H-indazol-6-yl]-2-methyl-5H-pyrrolo[3,2-d]pyrimidine;7-N-(4-ethoxyphenyl)-6-methyl-5-N-[(3S)-piperidin-3-yl]pyrazolo[1,5-a]pyrimidine-5,7-diamine;3-[[2-(2-fluorophenyl)-4-pyridinyl]amino]-4-[[(1R)-1-phenylethyl]amino]cyclobut-3-ene-1,2-dione;2-[2-(2-fluorophenyl)-4-pyridinyl]-1,5,6,7-tetrahydroindol-4-one;5-methoxy-11-methyl-9,12-diazatetracyclo[10.2.1.02,10.03,8]pentadeca-2(10),3(8),4,6-tetraene;propyl 5-methoxy-9,12-diazatetracyclo[10.2.1.02,10.03,8]pentadeca-2(10),3(8),4,6-tetraene-11-carboxylate is sourced from PubChem (CID 157448551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).