6-(cyclopentylmethyl)-3-(2-methyl-4-pyridinyl)-5,8-dihydro-1H-pyrrolo[3,4-g]isoquinolin-7-one;6-[(3R)-1-ethylpyrrolidin-3-yl]-3-(2-methyl-4-pyridinyl)-5,8-dihydro-1H-pyrrolo[3,4-g]isoquinolin-7-one;6-[(3R)-1-[(2-fluoro-4-methylphenyl)methyl]piperidin-3-yl]-3-(2-methyl-4-pyridinyl)-5,8-dihydro-1H-pyrrolo[3,4-g]isoquinolin-7-one

C76H82FN11O3 — CID 158292059

About 6-(cyclopentylmethyl)-3-(2-methyl-4-pyridinyl)-5,8-dihydro-1H-pyrrolo[3,4-g]isoquinolin-7-one;6-[(3R)-1-ethylpyrrolidin-3-yl]-3-(2-methyl-4-pyridinyl)-5,8-dihydro-1H-pyrrolo[3,4-g]isoquinolin-7-one;6-[(3R)-1-[(2-fluoro-4-methylphenyl)methyl]piperidin-3-yl]-3-(2-methyl-4-pyridinyl)-5,8-dihydro-1H-pyrrolo[3,4-g]isoquinolin-7-one

6-(cyclopentylmethyl)-3-(2-methyl-4-pyridinyl)-5,8-dihydro-1H-pyrrolo[3,4-g]isoquinolin-7-one;6-[(3R)-1-ethylpyrrolidin-3-yl]-3-(2-methyl-4-pyridinyl)-5,8-dihydro-1H-pyrrolo[3,4-g]isoquinolin-7-one;6-[(3R)-1-[(2-fluoro-4-methylphenyl)methyl]piperidin-3-yl]-3-(2-methyl-4-pyridinyl)-5,8-dihydro-1H-pyrrolo[3,4-g]isoquinolin-7-one (PubChem CID 158292059) has the molecular formula C76H82FN11O3 and a molecular weight of 1216.56 g/mol. Its IUPAC name is 6-(cyclopentylmethyl)-3-(2-methyl-4-pyridinyl)-5,8-dihydro-1H-pyrrolo[3,4-g]isoquinolin-7-one;6-[(3R)-1-ethylpyrrolidin-3-yl]-3-(2-methyl-4-pyridinyl)-5,8-dihydro-1H-pyrrolo[3,4-g]isoquinolin-7-one;6-[(3R)-1-[(2-fluoro-4-methylphenyl)methyl]piperidin-3-yl]-3-(2-methyl-4-pyridinyl)-5,8-dihydro-1H-pyrrolo[3,4-g]isoquinolin-7-one.

Molecular Properties

• Compound Name: 6-(cyclopentylmethyl)-3-(2-methyl-4-pyridinyl)-5,8-dihydro-1H-pyrrolo[3,4-g]isoquinolin-7-one;6-[(3R)-1-ethylpyrrolidin-3-yl]-3-(2-methyl-4-pyridinyl)-5,8-dihydro-1H-pyrrolo[3,4-g]isoquinolin-7-one;6-[(3R)-1-[(2-fluoro-4-methylphenyl)methyl]piperidin-3-yl]-3-(2-methyl-4-pyridinyl)-5,8-dihydro-1H-pyrrolo[3,4-g]isoquinolin-7-one
• PubChem CID: 158292059
• Molecular Formula: C76H82FN11O3
• Molecular Weight: 1216.56 g/mol
• Exact Mass: 1215.66
• IUPAC Name: 6-(cyclopentylmethyl)-3-(2-methyl-4-pyridinyl)-5,8-dihydro-1H-pyrrolo[3,4-g]isoquinolin-7-one;6-[(3R)-1-ethylpyrrolidin-3-yl]-3-(2-methyl-4-pyridinyl)-5,8-dihydro-1H-pyrrolo[3,4-g]isoquinolin-7-one;6-[(3R)-1-[(2-fluoro-4-methylphenyl)methyl]piperidin-3-yl]-3-(2-methyl-4-pyridinyl)-5,8-dihydro-1H-pyrrolo[3,4-g]isoquinolin-7-one
• SMILES: CCN1CC[C@@H](N2Cc3cc4c(cc3CC2=O)CN=C4c2ccnc(C)c2)C1.Cc1cc(C2=NCc3cc4c(cc32)CN(CC2CCCC2)C(=O)C4)ccn1.Cc1ccc(CN2CCC[C@@H](N3Cc4cc5c(cc4CC3=O)CN=C5c3ccnc(C)c3)C2)c(F)c1
• InChI: InChI=1S/C30H31FN4O.C23H26N4O.C23H25N3O/c1-19-5-6-22(28(31)10-19)16-34-9-3-4-26(18-34)35-17-25-13-27-24(12-23(25)14-29(35)36)15-33-30(27)21-7-8-32-20(2)11-21;1-3-26-7-5-20(14-26)27-13-19-10-21-18(9-17(19)11-22(27)28)12-25-23(21)16-4-6-24-15(2)8-16;1-15-8-17(6-7-24-15)23-21-10-20-14-26(13-16-4-2-3-5-16)22(27)11-18(20)9-19(21)12-25-23/h5-8,10-13,26H,3-4,9,14-18H2,1-2H3;4,6,8-10,20H,3,5,7,11-14H2,1-2H3;6-10,16H,2-5,11-14H2,1H3/t26-;20-;/m11./s1
• InChIKey: GLLYCLURKRKNHM-NWPIBAJBSA-N
• XLogP: 11.27
• TPSA: 143.16 Ų
• H-Bond Acceptors: 11
• Rotatable Bonds: 10
• Heavy Atoms: 91
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1216.56
LogP ≤ 5	11.27
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	11

Frequently Asked Questions

What is the IUPAC name of 6-(cyclopentylmethyl)-3-(2-methyl-4-pyridinyl)-5,8-dihydro-1H-pyrrolo[3,4-g]isoquinolin-7-one;6-[(3R)-1-ethylpyrrolidin-3-yl]-3-(2-methyl-4-pyridinyl)-5,8-dihydro-1H-pyrrolo[3,4-g]isoquinolin-7-one;6-[(3R)-1-[(2-fluoro-4-methylphenyl)methyl]piperidin-3-yl]-3-(2-methyl-4-pyridinyl)-5,8-dihydro-1H-pyrrolo[3,4-g]isoquinolin-7-one?

The IUPAC name of 6-(cyclopentylmethyl)-3-(2-methyl-4-pyridinyl)-5,8-dihydro-1H-pyrrolo[3,4-g]isoquinolin-7-one;6-[(3R)-1-ethylpyrrolidin-3-yl]-3-(2-methyl-4-pyridinyl)-5,8-dihydro-1H-pyrrolo[3,4-g]isoquinolin-7-one;6-[(3R)-1-[(2-fluoro-4-methylphenyl)methyl]piperidin-3-yl]-3-(2-methyl-4-pyridinyl)-5,8-dihydro-1H-pyrrolo[3,4-g]isoquinolin-7-one (CID 158292059) is 6-(cyclopentylmethyl)-3-(2-methyl-4-pyridinyl)-5,8-dihydro-1H-pyrrolo[3,4-g]isoquinolin-7-one;6-[(3R)-1-ethylpyrrolidin-3-yl]-3-(2-methyl-4-pyridinyl)-5,8-dihydro-1H-pyrrolo[3,4-g]isoquinolin-7-one;6-[(3R)-1-[(2-fluoro-4-methylphenyl)methyl]piperidin-3-yl]-3-(2-methyl-4-pyridinyl)-5,8-dihydro-1H-pyrrolo[3,4-g]isoquinolin-7-one.

What is the SMILES notation for 6-(cyclopentylmethyl)-3-(2-methyl-4-pyridinyl)-5,8-dihydro-1H-pyrrolo[3,4-g]isoquinolin-7-one;6-[(3R)-1-ethylpyrrolidin-3-yl]-3-(2-methyl-4-pyridinyl)-5,8-dihydro-1H-pyrrolo[3,4-g]isoquinolin-7-one;6-[(3R)-1-[(2-fluoro-4-methylphenyl)methyl]piperidin-3-yl]-3-(2-methyl-4-pyridinyl)-5,8-dihydro-1H-pyrrolo[3,4-g]isoquinolin-7-one?

The canonical SMILES for 6-(cyclopentylmethyl)-3-(2-methyl-4-pyridinyl)-5,8-dihydro-1H-pyrrolo[3,4-g]isoquinolin-7-one;6-[(3R)-1-ethylpyrrolidin-3-yl]-3-(2-methyl-4-pyridinyl)-5,8-dihydro-1H-pyrrolo[3,4-g]isoquinolin-7-one;6-[(3R)-1-[(2-fluoro-4-methylphenyl)methyl]piperidin-3-yl]-3-(2-methyl-4-pyridinyl)-5,8-dihydro-1H-pyrrolo[3,4-g]isoquinolin-7-one is CCN1CC[C@@H](N2Cc3cc4c(cc3CC2=O)CN=C4c2ccnc(C)c2)C1.Cc1cc(C2=NCc3cc4c(cc32)CN(CC2CCCC2)C(=O)C4)ccn1.Cc1ccc(CN2CCC[C@@H](N3Cc4cc5c(cc4CC3=O)CN=C5c3ccnc(C)c3)C2)c(F)c1.

What is the InChIKey of 6-(cyclopentylmethyl)-3-(2-methyl-4-pyridinyl)-5,8-dihydro-1H-pyrrolo[3,4-g]isoquinolin-7-one;6-[(3R)-1-ethylpyrrolidin-3-yl]-3-(2-methyl-4-pyridinyl)-5,8-dihydro-1H-pyrrolo[3,4-g]isoquinolin-7-one;6-[(3R)-1-[(2-fluoro-4-methylphenyl)methyl]piperidin-3-yl]-3-(2-methyl-4-pyridinyl)-5,8-dihydro-1H-pyrrolo[3,4-g]isoquinolin-7-one?

The InChIKey is GLLYCLURKRKNHM-NWPIBAJBSA-N. The full InChI is InChI=1S/C30H31FN4O.C23H26N4O.C23H25N3O/c1-19-5-6-22(28(31)10-19)16-34-9-3-4-26(18-34)35-17-25-13-27-24(12-23(25)14-29(35)36)15-33-30(27)21-7-8-32-20(2)11-21;1-3-26-7-5-20(14-26)27-13-19-10-21-18(9-17(19)11-22(27)28)12-25-23(21)16-4-6-24-15(2)8-16;1-15-8-17(6-7-24-15)23-21-10-20-14-26(13-16-4-2-3-5-16)22(27)11-18(20)9-19(21)12-25-23/h5-8,10-13,26H,3-4,9,14-18H2,1-2H3;4,6,8-10,20H,3,5,7,11-14H2,1-2H3;6-10,16H,2-5,11-14H2,1H3/t26-;20-;/m11./s1.

What are the key properties of 6-(cyclopentylmethyl)-3-(2-methyl-4-pyridinyl)-5,8-dihydro-1H-pyrrolo[3,4-g]isoquinolin-7-one;6-[(3R)-1-ethylpyrrolidin-3-yl]-3-(2-methyl-4-pyridinyl)-5,8-dihydro-1H-pyrrolo[3,4-g]isoquinolin-7-one;6-[(3R)-1-[(2-fluoro-4-methylphenyl)methyl]piperidin-3-yl]-3-(2-methyl-4-pyridinyl)-5,8-dihydro-1H-pyrrolo[3,4-g]isoquinolin-7-one?

6-(cyclopentylmethyl)-3-(2-methyl-4-pyridinyl)-5,8-dihydro-1H-pyrrolo[3,4-g]isoquinolin-7-one;6-[(3R)-1-ethylpyrrolidin-3-yl]-3-(2-methyl-4-pyridinyl)-5,8-dihydro-1H-pyrrolo[3,4-g]isoquinolin-7-one;6-[(3R)-1-[(2-fluoro-4-methylphenyl)methyl]piperidin-3-yl]-3-(2-methyl-4-pyridinyl)-5,8-dihydro-1H-pyrrolo[3,4-g]isoquinolin-7-one has a molecular weight of 1216.56 g/mol, XLogP of 11.27, 10 rotatable bonds, 0 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for 6-(cyclopentylmethyl)-3-(2-methyl-4-pyridinyl)-5,8-dihydro-1H-pyrrolo[3,4-g]isoquinolin-7-one;6-[(3R)-1-ethylpyrrolidin-3-yl]-3-(2-methyl-4-pyridinyl)-5,8-dihydro-1H-pyrrolo[3,4-g]isoquinolin-7-one;6-[(3R)-1-[(2-fluoro-4-methylphenyl)methyl]piperidin-3-yl]-3-(2-methyl-4-pyridinyl)-5,8-dihydro-1H-pyrrolo[3,4-g]isoquinolin-7-one is sourced from PubChem (CID 158292059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).