6-[3-amino-1-[3-(1H-indol-6-yl)phenyl]pyrazol-4-yl]-3,4-dihydro-2H-isoquinolin-1-one;(3R)-3-(aminomethyl)-9-methoxy-1,2,3,4-tetrahydro-[1]benzothiolo[3,2-e][1,4]diazepin-5-one;2-[2-(1,3-benzodioxol-5-yl)pyrimidin-4-yl]-1,5,5a,6,7,8,9,9a-octahydropyrrolo[3,2-h]isoquinolin-4-one;2-(2-fluorophenyl)-1'-methylspiro[6,8,9,11-tetrahydro-5H-indeno[2,1-f]isoquinoline-10,3'-azetidine]-7-one;2-[2-(2-fluorophenyl)-4-pyridinyl]-1,5,6,7-tetrahydroindol-4-one;1-propyl-3-(2-quinolin-3-yl-4-pyridinyl)pyrazole-5-carboxylic acid;2-(2-quinolin-3-yl-4-pyridinyl)-1,5,6,7-tetrahydroindol-4-one

C148H129F2N23O11S — CID 158543818

About 6-[3-amino-1-[3-(1H-indol-6-yl)phenyl]pyrazol-4-yl]-3,4-dihydro-2H-isoquinolin-1-one;(3R)-3-(aminomethyl)-9-methoxy-1,2,3,4-tetrahydro-[1]benzothiolo[3,2-e][1,4]diazepin-5-one;2-[2-(1,3-benzodioxol-5-yl)pyrimidin-4-yl]-1,5,5a,6,7,8,9,9a-octahydropyrrolo[3,2-h]isoquinolin-4-one;2-(2-fluorophenyl)-1'-methylspiro[6,8,9,11-tetrahydro-5H-indeno[2,1-f]isoquinoline-10,3'-azetidine]-7-one;2-[2-(2-fluorophenyl)-4-pyridinyl]-1,5,6,7-tetrahydroindol-4-one;1-propyl-3-(2-quinolin-3-yl-4-pyridinyl)pyrazole-5-carboxylic acid;2-(2-quinolin-3-yl-4-pyridinyl)-1,5,6,7-tetrahydroindol-4-one

6-[3-amino-1-[3-(1H-indol-6-yl)phenyl]pyrazol-4-yl]-3,4-dihydro-2H-isoquinolin-1-one;(3R)-3-(aminomethyl)-9-methoxy-1,2,3,4-tetrahydro-[1]benzothiolo[3,2-e][1,4]diazepin-5-one;2-[2-(1,3-benzodioxol-5-yl)pyrimidin-4-yl]-1,5,5a,6,7,8,9,9a-octahydropyrrolo[3,2-h]isoquinolin-4-one;2-(2-fluorophenyl)-1'-methylspiro[6,8,9,11-tetrahydro-5H-indeno[2,1-f]isoquinoline-10,3'-azetidine]-7-one;2-[2-(2-fluorophenyl)-4-pyridinyl]-1,5,6,7-tetrahydroindol-4-one;1-propyl-3-(2-quinolin-3-yl-4-pyridinyl)pyrazole-5-carboxylic acid;2-(2-quinolin-3-yl-4-pyridinyl)-1,5,6,7-tetrahydroindol-4-one (PubChem CID 158543818) has the molecular formula C148H129F2N23O11S and a molecular weight of 2475.87 g/mol. Its IUPAC name is 6-[3-amino-1-[3-(1H-indol-6-yl)phenyl]pyrazol-4-yl]-3,4-dihydro-2H-isoquinolin-1-one;(3R)-3-(aminomethyl)-9-methoxy-1,2,3,4-tetrahydro-[1]benzothiolo[3,2-e][1,4]diazepin-5-one;2-[2-(1,3-benzodioxol-5-yl)pyrimidin-4-yl]-1,5,5a,6,7,8,9,9a-octahydropyrrolo[3,2-h]isoquinolin-4-one;2-(2-fluorophenyl)-1'-methylspiro[6,8,9,11-tetrahydro-5H-indeno[2,1-f]isoquinoline-10,3'-azetidine]-7-one;2-[2-(2-fluorophenyl)-4-pyridinyl]-1,5,6,7-tetrahydroindol-4-one;1-propyl-3-(2-quinolin-3-yl-4-pyridinyl)pyrazole-5-carboxylic acid;2-(2-quinolin-3-yl-4-pyridinyl)-1,5,6,7-tetrahydroindol-4-one.

Molecular Properties

• Compound Name: 6-[3-amino-1-[3-(1H-indol-6-yl)phenyl]pyrazol-4-yl]-3,4-dihydro-2H-isoquinolin-1-one;(3R)-3-(aminomethyl)-9-methoxy-1,2,3,4-tetrahydro-[1]benzothiolo[3,2-e][1,4]diazepin-5-one;2-[2-(1,3-benzodioxol-5-yl)pyrimidin-4-yl]-1,5,5a,6,7,8,9,9a-octahydropyrrolo[3,2-h]isoquinolin-4-one;2-(2-fluorophenyl)-1'-methylspiro[6,8,9,11-tetrahydro-5H-indeno[2,1-f]isoquinoline-10,3'-azetidine]-7-one;2-[2-(2-fluorophenyl)-4-pyridinyl]-1,5,6,7-tetrahydroindol-4-one;1-propyl-3-(2-quinolin-3-yl-4-pyridinyl)pyrazole-5-carboxylic acid;2-(2-quinolin-3-yl-4-pyridinyl)-1,5,6,7-tetrahydroindol-4-one
• PubChem CID: 158543818
• Molecular Formula: C148H129F2N23O11S
• Molecular Weight: 2475.87 g/mol
• Exact Mass: 2473.99
• IUPAC Name: 6-[3-amino-1-[3-(1H-indol-6-yl)phenyl]pyrazol-4-yl]-3,4-dihydro-2H-isoquinolin-1-one;(3R)-3-(aminomethyl)-9-methoxy-1,2,3,4-tetrahydro-[1]benzothiolo[3,2-e][1,4]diazepin-5-one;2-[2-(1,3-benzodioxol-5-yl)pyrimidin-4-yl]-1,5,5a,6,7,8,9,9a-octahydropyrrolo[3,2-h]isoquinolin-4-one;2-(2-fluorophenyl)-1'-methylspiro[6,8,9,11-tetrahydro-5H-indeno[2,1-f]isoquinoline-10,3'-azetidine]-7-one;2-[2-(2-fluorophenyl)-4-pyridinyl]-1,5,6,7-tetrahydroindol-4-one;1-propyl-3-(2-quinolin-3-yl-4-pyridinyl)pyrazole-5-carboxylic acid;2-(2-quinolin-3-yl-4-pyridinyl)-1,5,6,7-tetrahydroindol-4-one
• SMILES: CCCn1nc(-c2ccnc(-c3cnc4ccccc4c3)c2)cc1C(=O)O.CN1CC2(CCC(=O)C3=C2CC2=C3CCc3cnc(-c4ccccc4F)cc32)C1.COc1ccc2sc3c(c2c1)NC[C@@H](CN)NC3=O.Nc1nn(-c2cccc(-c3ccc4cc[nH]c4c3)c2)cc1-c1ccc2c(c1)CCNC2=O.O=C1CC2CCNCC2c2[nH]c(-c3ccnc(-c4ccc5c(c4)OCO5)n3)cc21.O=C1CCCc2[nH]c(-c3ccnc(-c4ccccc4F)c3)cc21.O=C1CCCc2[nH]c(-c3ccnc(-c4cnc5ccccc5c4)c3)cc21
• InChI: InChI=1S/C26H21N5O.C25H23FN2O.C22H20N4O3.C22H17N3O.C21H18N4O2.C19H15FN2O.C13H15N3O2S/c27-25-23(19-6-7-22-20(12-19)9-11-29-26(22)32)15-31(30-25)21-3-1-2-17(13-21)18-5-4-16-8-10-28-24(16)14-18;1-28-13-25(14-28)9-8-23(29)24-16-7-6-15-12-27-22(17-4-2-3-5-21(17)26)11-18(15)19(16)10-20(24)25;27-18-7-12-3-5-23-10-15(12)21-14(18)9-17(25-21)16-4-6-24-22(26-16)13-1-2-19-20(8-13)29-11-28-19;26-22-7-3-6-19-17(22)12-21(25-19)15-8-9-23-20(11-15)16-10-14-4-1-2-5-18(14)24-13-16;1-2-9-25-20(21(26)27)12-19(24-25)15-7-8-22-18(11-15)16-10-14-5-3-4-6-17(14)23-13-16;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;1-18-8-2-3-10-9(4-8)11-12(19-10)13(17)16-7(5-14)6-15-11/h1-8,10,12-15,28H,9,11H2,(H2,27,30)(H,29,32);2-5,11-12H,6-10,13-14H2,1H3;1-2,4,6,8-9,12,15,23,25H,3,5,7,10-11H2;1-2,4-5,8-13,25H,3,6-7H2;3-8,10-13H,2,9H2,1H3,(H,26,27);1-2,4-5,8-11,22H,3,6-7H2;2-4,7,15H,5-6,14H2,1H3,(H,16,17)/t;;;;;;7-/m......1/s1
• InChIKey: HOVZDGISIRNJRX-VWCZXHGJSA-N
• XLogP: 27.16
• TPSA: 472.73 Ų
• H-Bond Donors: 11
• H-Bond Acceptors: 28
• Rotatable Bonds: 17
• Heavy Atoms: 185
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2475.87
LogP ≤ 5	27.16
H-Bond Donors ≤ 5	11
H-Bond Acceptors ≤ 10	28

Frequently Asked Questions

What is the IUPAC name of 6-[3-amino-1-[3-(1H-indol-6-yl)phenyl]pyrazol-4-yl]-3,4-dihydro-2H-isoquinolin-1-one;(3R)-3-(aminomethyl)-9-methoxy-1,2,3,4-tetrahydro-[1]benzothiolo[3,2-e][1,4]diazepin-5-one;2-[2-(1,3-benzodioxol-5-yl)pyrimidin-4-yl]-1,5,5a,6,7,8,9,9a-octahydropyrrolo[3,2-h]isoquinolin-4-one;2-(2-fluorophenyl)-1'-methylspiro[6,8,9,11-tetrahydro-5H-indeno[2,1-f]isoquinoline-10,3'-azetidine]-7-one;2-[2-(2-fluorophenyl)-4-pyridinyl]-1,5,6,7-tetrahydroindol-4-one;1-propyl-3-(2-quinolin-3-yl-4-pyridinyl)pyrazole-5-carboxylic acid;2-(2-quinolin-3-yl-4-pyridinyl)-1,5,6,7-tetrahydroindol-4-one?

The IUPAC name of 6-[3-amino-1-[3-(1H-indol-6-yl)phenyl]pyrazol-4-yl]-3,4-dihydro-2H-isoquinolin-1-one;(3R)-3-(aminomethyl)-9-methoxy-1,2,3,4-tetrahydro-[1]benzothiolo[3,2-e][1,4]diazepin-5-one;2-[2-(1,3-benzodioxol-5-yl)pyrimidin-4-yl]-1,5,5a,6,7,8,9,9a-octahydropyrrolo[3,2-h]isoquinolin-4-one;2-(2-fluorophenyl)-1'-methylspiro[6,8,9,11-tetrahydro-5H-indeno[2,1-f]isoquinoline-10,3'-azetidine]-7-one;2-[2-(2-fluorophenyl)-4-pyridinyl]-1,5,6,7-tetrahydroindol-4-one;1-propyl-3-(2-quinolin-3-yl-4-pyridinyl)pyrazole-5-carboxylic acid;2-(2-quinolin-3-yl-4-pyridinyl)-1,5,6,7-tetrahydroindol-4-one (CID 158543818) is 6-[3-amino-1-[3-(1H-indol-6-yl)phenyl]pyrazol-4-yl]-3,4-dihydro-2H-isoquinolin-1-one;(3R)-3-(aminomethyl)-9-methoxy-1,2,3,4-tetrahydro-[1]benzothiolo[3,2-e][1,4]diazepin-5-one;2-[2-(1,3-benzodioxol-5-yl)pyrimidin-4-yl]-1,5,5a,6,7,8,9,9a-octahydropyrrolo[3,2-h]isoquinolin-4-one;2-(2-fluorophenyl)-1'-methylspiro[6,8,9,11-tetrahydro-5H-indeno[2,1-f]isoquinoline-10,3'-azetidine]-7-one;2-[2-(2-fluorophenyl)-4-pyridinyl]-1,5,6,7-tetrahydroindol-4-one;1-propyl-3-(2-quinolin-3-yl-4-pyridinyl)pyrazole-5-carboxylic acid;2-(2-quinolin-3-yl-4-pyridinyl)-1,5,6,7-tetrahydroindol-4-one.

What is the SMILES notation for 6-[3-amino-1-[3-(1H-indol-6-yl)phenyl]pyrazol-4-yl]-3,4-dihydro-2H-isoquinolin-1-one;(3R)-3-(aminomethyl)-9-methoxy-1,2,3,4-tetrahydro-[1]benzothiolo[3,2-e][1,4]diazepin-5-one;2-[2-(1,3-benzodioxol-5-yl)pyrimidin-4-yl]-1,5,5a,6,7,8,9,9a-octahydropyrrolo[3,2-h]isoquinolin-4-one;2-(2-fluorophenyl)-1'-methylspiro[6,8,9,11-tetrahydro-5H-indeno[2,1-f]isoquinoline-10,3'-azetidine]-7-one;2-[2-(2-fluorophenyl)-4-pyridinyl]-1,5,6,7-tetrahydroindol-4-one;1-propyl-3-(2-quinolin-3-yl-4-pyridinyl)pyrazole-5-carboxylic acid;2-(2-quinolin-3-yl-4-pyridinyl)-1,5,6,7-tetrahydroindol-4-one?

The canonical SMILES for 6-[3-amino-1-[3-(1H-indol-6-yl)phenyl]pyrazol-4-yl]-3,4-dihydro-2H-isoquinolin-1-one;(3R)-3-(aminomethyl)-9-methoxy-1,2,3,4-tetrahydro-[1]benzothiolo[3,2-e][1,4]diazepin-5-one;2-[2-(1,3-benzodioxol-5-yl)pyrimidin-4-yl]-1,5,5a,6,7,8,9,9a-octahydropyrrolo[3,2-h]isoquinolin-4-one;2-(2-fluorophenyl)-1'-methylspiro[6,8,9,11-tetrahydro-5H-indeno[2,1-f]isoquinoline-10,3'-azetidine]-7-one;2-[2-(2-fluorophenyl)-4-pyridinyl]-1,5,6,7-tetrahydroindol-4-one;1-propyl-3-(2-quinolin-3-yl-4-pyridinyl)pyrazole-5-carboxylic acid;2-(2-quinolin-3-yl-4-pyridinyl)-1,5,6,7-tetrahydroindol-4-one is CCCn1nc(-c2ccnc(-c3cnc4ccccc4c3)c2)cc1C(=O)O.CN1CC2(CCC(=O)C3=C2CC2=C3CCc3cnc(-c4ccccc4F)cc32)C1.COc1ccc2sc3c(c2c1)NC[C@@H](CN)NC3=O.Nc1nn(-c2cccc(-c3ccc4cc[nH]c4c3)c2)cc1-c1ccc2c(c1)CCNC2=O.O=C1CC2CCNCC2c2[nH]c(-c3ccnc(-c4ccc5c(c4)OCO5)n3)cc21.O=C1CCCc2[nH]c(-c3ccnc(-c4ccccc4F)c3)cc21.O=C1CCCc2[nH]c(-c3ccnc(-c4cnc5ccccc5c4)c3)cc21.

What is the InChIKey of 6-[3-amino-1-[3-(1H-indol-6-yl)phenyl]pyrazol-4-yl]-3,4-dihydro-2H-isoquinolin-1-one;(3R)-3-(aminomethyl)-9-methoxy-1,2,3,4-tetrahydro-[1]benzothiolo[3,2-e][1,4]diazepin-5-one;2-[2-(1,3-benzodioxol-5-yl)pyrimidin-4-yl]-1,5,5a,6,7,8,9,9a-octahydropyrrolo[3,2-h]isoquinolin-4-one;2-(2-fluorophenyl)-1'-methylspiro[6,8,9,11-tetrahydro-5H-indeno[2,1-f]isoquinoline-10,3'-azetidine]-7-one;2-[2-(2-fluorophenyl)-4-pyridinyl]-1,5,6,7-tetrahydroindol-4-one;1-propyl-3-(2-quinolin-3-yl-4-pyridinyl)pyrazole-5-carboxylic acid;2-(2-quinolin-3-yl-4-pyridinyl)-1,5,6,7-tetrahydroindol-4-one?

The InChIKey is HOVZDGISIRNJRX-VWCZXHGJSA-N. The full InChI is InChI=1S/C26H21N5O.C25H23FN2O.C22H20N4O3.C22H17N3O.C21H18N4O2.C19H15FN2O.C13H15N3O2S/c27-25-23(19-6-7-22-20(12-19)9-11-29-26(22)32)15-31(30-25)21-3-1-2-17(13-21)18-5-4-16-8-10-28-24(16)14-18;1-28-13-25(14-28)9-8-23(29)24-16-7-6-15-12-27-22(17-4-2-3-5-21(17)26)11-18(15)19(16)10-20(24)25;27-18-7-12-3-5-23-10-15(12)21-14(18)9-17(25-21)16-4-6-24-22(26-16)13-1-2-19-20(8-13)29-11-28-19;26-22-7-3-6-19-17(22)12-21(25-19)15-8-9-23-20(11-15)16-10-14-4-1-2-5-18(14)24-13-16;1-2-9-25-20(21(26)27)12-19(24-25)15-7-8-22-18(11-15)16-10-14-5-3-4-6-17(14)23-13-16;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;1-18-8-2-3-10-9(4-8)11-12(19-10)13(17)16-7(5-14)6-15-11/h1-8,10,12-15,28H,9,11H2,(H2,27,30)(H,29,32);2-5,11-12H,6-10,13-14H2,1H3;1-2,4,6,8-9,12,15,23,25H,3,5,7,10-11H2;1-2,4-5,8-13,25H,3,6-7H2;3-8,10-13H,2,9H2,1H3,(H,26,27);1-2,4-5,8-11,22H,3,6-7H2;2-4,7,15H,5-6,14H2,1H3,(H,16,17)/t;;;;;;7-/m......1/s1.

What are the key properties of 6-[3-amino-1-[3-(1H-indol-6-yl)phenyl]pyrazol-4-yl]-3,4-dihydro-2H-isoquinolin-1-one;(3R)-3-(aminomethyl)-9-methoxy-1,2,3,4-tetrahydro-[1]benzothiolo[3,2-e][1,4]diazepin-5-one;2-[2-(1,3-benzodioxol-5-yl)pyrimidin-4-yl]-1,5,5a,6,7,8,9,9a-octahydropyrrolo[3,2-h]isoquinolin-4-one;2-(2-fluorophenyl)-1'-methylspiro[6,8,9,11-tetrahydro-5H-indeno[2,1-f]isoquinoline-10,3'-azetidine]-7-one;2-[2-(2-fluorophenyl)-4-pyridinyl]-1,5,6,7-tetrahydroindol-4-one;1-propyl-3-(2-quinolin-3-yl-4-pyridinyl)pyrazole-5-carboxylic acid;2-(2-quinolin-3-yl-4-pyridinyl)-1,5,6,7-tetrahydroindol-4-one?

6-[3-amino-1-[3-(1H-indol-6-yl)phenyl]pyrazol-4-yl]-3,4-dihydro-2H-isoquinolin-1-one;(3R)-3-(aminomethyl)-9-methoxy-1,2,3,4-tetrahydro-[1]benzothiolo[3,2-e][1,4]diazepin-5-one;2-[2-(1,3-benzodioxol-5-yl)pyrimidin-4-yl]-1,5,5a,6,7,8,9,9a-octahydropyrrolo[3,2-h]isoquinolin-4-one;2-(2-fluorophenyl)-1'-methylspiro[6,8,9,11-tetrahydro-5H-indeno[2,1-f]isoquinoline-10,3'-azetidine]-7-one;2-[2-(2-fluorophenyl)-4-pyridinyl]-1,5,6,7-tetrahydroindol-4-one;1-propyl-3-(2-quinolin-3-yl-4-pyridinyl)pyrazole-5-carboxylic acid;2-(2-quinolin-3-yl-4-pyridinyl)-1,5,6,7-tetrahydroindol-4-one has a molecular weight of 2475.87 g/mol, XLogP of 27.16, 17 rotatable bonds, 11 hydrogen bond donors, and 28 hydrogen bond acceptors.

Where does this data come from?

All data for 6-[3-amino-1-[3-(1H-indol-6-yl)phenyl]pyrazol-4-yl]-3,4-dihydro-2H-isoquinolin-1-one;(3R)-3-(aminomethyl)-9-methoxy-1,2,3,4-tetrahydro-[1]benzothiolo[3,2-e][1,4]diazepin-5-one;2-[2-(1,3-benzodioxol-5-yl)pyrimidin-4-yl]-1,5,5a,6,7,8,9,9a-octahydropyrrolo[3,2-h]isoquinolin-4-one;2-(2-fluorophenyl)-1'-methylspiro[6,8,9,11-tetrahydro-5H-indeno[2,1-f]isoquinoline-10,3'-azetidine]-7-one;2-[2-(2-fluorophenyl)-4-pyridinyl]-1,5,6,7-tetrahydroindol-4-one;1-propyl-3-(2-quinolin-3-yl-4-pyridinyl)pyrazole-5-carboxylic acid;2-(2-quinolin-3-yl-4-pyridinyl)-1,5,6,7-tetrahydroindol-4-one is sourced from PubChem (CID 158543818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).