N,N-dimethyl-2-[3-[[8-methyl-9-[[3-(1-methylpyrazol-4-yl)phenyl]methyl]-5,6-dihydropyrrolo[3,4-h]quinazolin-2-yl]methyl]pyrazol-1-yl]ethanamine;2-[[1-(2-methoxyethyl)pyrazol-3-yl]methyl]-8-methyl-9-[[3-(1-methylpyrazol-4-yl)phenyl]methyl]-5,6-dihydropyrrolo[3,4-h]quinazoline;8-methyl-2-[(1-methylpyrazol-3-yl)methyl]-9-[[3-(1-methylpyrazol-4-yl)phenyl]methyl]-5,6-dihydropyrrolo[3,4-h]quinazoline

C86H92N22O — CID 157436451

About N,N-dimethyl-2-[3-[[8-methyl-9-[[3-(1-methylpyrazol-4-yl)phenyl]methyl]-5,6-dihydropyrrolo[3,4-h]quinazolin-2-yl]methyl]pyrazol-1-yl]ethanamine;2-[[1-(2-methoxyethyl)pyrazol-3-yl]methyl]-8-methyl-9-[[3-(1-methylpyrazol-4-yl)phenyl]methyl]-5,6-dihydropyrrolo[3,4-h]quinazoline;8-methyl-2-[(1-methylpyrazol-3-yl)methyl]-9-[[3-(1-methylpyrazol-4-yl)phenyl]methyl]-5,6-dihydropyrrolo[3,4-h]quinazoline

N,N-dimethyl-2-[3-[[8-methyl-9-[[3-(1-methylpyrazol-4-yl)phenyl]methyl]-5,6-dihydropyrrolo[3,4-h]quinazolin-2-yl]methyl]pyrazol-1-yl]ethanamine;2-[[1-(2-methoxyethyl)pyrazol-3-yl]methyl]-8-methyl-9-[[3-(1-methylpyrazol-4-yl)phenyl]methyl]-5,6-dihydropyrrolo[3,4-h]quinazoline;8-methyl-2-[(1-methylpyrazol-3-yl)methyl]-9-[[3-(1-methylpyrazol-4-yl)phenyl]methyl]-5,6-dihydropyrrolo[3,4-h]quinazoline (PubChem CID 157436451) has the molecular formula C86H92N22O and a molecular weight of 1449.83 g/mol. Its IUPAC name is N,N-dimethyl-2-[3-[[8-methyl-9-[[3-(1-methylpyrazol-4-yl)phenyl]methyl]-5,6-dihydropyrrolo[3,4-h]quinazolin-2-yl]methyl]pyrazol-1-yl]ethanamine;2-[[1-(2-methoxyethyl)pyrazol-3-yl]methyl]-8-methyl-9-[[3-(1-methylpyrazol-4-yl)phenyl]methyl]-5,6-dihydropyrrolo[3,4-h]quinazoline;8-methyl-2-[(1-methylpyrazol-3-yl)methyl]-9-[[3-(1-methylpyrazol-4-yl)phenyl]methyl]-5,6-dihydropyrrolo[3,4-h]quinazoline.

Molecular Properties

• Compound Name: N,N-dimethyl-2-[3-[[8-methyl-9-[[3-(1-methylpyrazol-4-yl)phenyl]methyl]-5,6-dihydropyrrolo[3,4-h]quinazolin-2-yl]methyl]pyrazol-1-yl]ethanamine;2-[[1-(2-methoxyethyl)pyrazol-3-yl]methyl]-8-methyl-9-[[3-(1-methylpyrazol-4-yl)phenyl]methyl]-5,6-dihydropyrrolo[3,4-h]quinazoline;8-methyl-2-[(1-methylpyrazol-3-yl)methyl]-9-[[3-(1-methylpyrazol-4-yl)phenyl]methyl]-5,6-dihydropyrrolo[3,4-h]quinazoline
• PubChem CID: 157436451
• Molecular Formula: C86H92N22O
• Molecular Weight: 1449.83 g/mol
• Exact Mass: 1448.78
• IUPAC Name: N,N-dimethyl-2-[3-[[8-methyl-9-[[3-(1-methylpyrazol-4-yl)phenyl]methyl]-5,6-dihydropyrrolo[3,4-h]quinazolin-2-yl]methyl]pyrazol-1-yl]ethanamine;2-[[1-(2-methoxyethyl)pyrazol-3-yl]methyl]-8-methyl-9-[[3-(1-methylpyrazol-4-yl)phenyl]methyl]-5,6-dihydropyrrolo[3,4-h]quinazoline;8-methyl-2-[(1-methylpyrazol-3-yl)methyl]-9-[[3-(1-methylpyrazol-4-yl)phenyl]methyl]-5,6-dihydropyrrolo[3,4-h]quinazoline
• SMILES: CN(C)CCn1ccc(Cc2ncc3c(n2)-c2c(cn(C)c2Cc2cccc(-c4cnn(C)c4)c2)CC3)n1.COCCn1ccc(Cc2ncc3c(n2)-c2c(cn(C)c2Cc2cccc(-c4cnn(C)c4)c2)CC3)n1.Cn1cc(-c2cccc(Cc3c4c(cn3C)CCc3cnc(Cc5ccn(C)n5)nc3-4)c2)cn1
• InChI: InChI=1S/C30H34N8.C29H31N7O.C27H27N7/c1-35(2)12-13-38-11-10-26(34-38)16-28-31-17-23-8-9-24-19-36(3)27(29(24)30(23)33-28)15-21-6-5-7-22(14-21)25-18-32-37(4)20-25;1-34-18-23-8-7-22-16-30-27(15-25-9-10-36(33-25)11-12-37-3)32-29(22)28(23)26(34)14-20-5-4-6-21(13-20)24-17-31-35(2)19-24;1-32-16-21-8-7-20-14-28-25(13-23-9-10-33(2)31-23)30-27(20)26(21)24(32)12-18-5-4-6-19(11-18)22-15-29-34(3)17-22/h5-7,10-11,14,17-20H,8-9,12-13,15-16H2,1-4H3;4-6,9-10,13,16-19H,7-8,11-12,14-15H2,1-3H3;4-6,9-11,14-17H,7-8,12-13H2,1-3H3
• InChIKey: BRDVOSWIDSGQDK-UHFFFAOYSA-N
• XLogP: 11.82
• TPSA: 211.52 Ų
• H-Bond Acceptors: 23
• Rotatable Bonds: 21
• Heavy Atoms: 109
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1449.83
LogP ≤ 5	11.82
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	23

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-2-[3-[[8-methyl-9-[[3-(1-methylpyrazol-4-yl)phenyl]methyl]-5,6-dihydropyrrolo[3,4-h]quinazolin-2-yl]methyl]pyrazol-1-yl]ethanamine;2-[[1-(2-methoxyethyl)pyrazol-3-yl]methyl]-8-methyl-9-[[3-(1-methylpyrazol-4-yl)phenyl]methyl]-5,6-dihydropyrrolo[3,4-h]quinazoline;8-methyl-2-[(1-methylpyrazol-3-yl)methyl]-9-[[3-(1-methylpyrazol-4-yl)phenyl]methyl]-5,6-dihydropyrrolo[3,4-h]quinazoline?

The IUPAC name of N,N-dimethyl-2-[3-[[8-methyl-9-[[3-(1-methylpyrazol-4-yl)phenyl]methyl]-5,6-dihydropyrrolo[3,4-h]quinazolin-2-yl]methyl]pyrazol-1-yl]ethanamine;2-[[1-(2-methoxyethyl)pyrazol-3-yl]methyl]-8-methyl-9-[[3-(1-methylpyrazol-4-yl)phenyl]methyl]-5,6-dihydropyrrolo[3,4-h]quinazoline;8-methyl-2-[(1-methylpyrazol-3-yl)methyl]-9-[[3-(1-methylpyrazol-4-yl)phenyl]methyl]-5,6-dihydropyrrolo[3,4-h]quinazoline (CID 157436451) is N,N-dimethyl-2-[3-[[8-methyl-9-[[3-(1-methylpyrazol-4-yl)phenyl]methyl]-5,6-dihydropyrrolo[3,4-h]quinazolin-2-yl]methyl]pyrazol-1-yl]ethanamine;2-[[1-(2-methoxyethyl)pyrazol-3-yl]methyl]-8-methyl-9-[[3-(1-methylpyrazol-4-yl)phenyl]methyl]-5,6-dihydropyrrolo[3,4-h]quinazoline;8-methyl-2-[(1-methylpyrazol-3-yl)methyl]-9-[[3-(1-methylpyrazol-4-yl)phenyl]methyl]-5,6-dihydropyrrolo[3,4-h]quinazoline.

What is the SMILES notation for N,N-dimethyl-2-[3-[[8-methyl-9-[[3-(1-methylpyrazol-4-yl)phenyl]methyl]-5,6-dihydropyrrolo[3,4-h]quinazolin-2-yl]methyl]pyrazol-1-yl]ethanamine;2-[[1-(2-methoxyethyl)pyrazol-3-yl]methyl]-8-methyl-9-[[3-(1-methylpyrazol-4-yl)phenyl]methyl]-5,6-dihydropyrrolo[3,4-h]quinazoline;8-methyl-2-[(1-methylpyrazol-3-yl)methyl]-9-[[3-(1-methylpyrazol-4-yl)phenyl]methyl]-5,6-dihydropyrrolo[3,4-h]quinazoline?

The canonical SMILES for N,N-dimethyl-2-[3-[[8-methyl-9-[[3-(1-methylpyrazol-4-yl)phenyl]methyl]-5,6-dihydropyrrolo[3,4-h]quinazolin-2-yl]methyl]pyrazol-1-yl]ethanamine;2-[[1-(2-methoxyethyl)pyrazol-3-yl]methyl]-8-methyl-9-[[3-(1-methylpyrazol-4-yl)phenyl]methyl]-5,6-dihydropyrrolo[3,4-h]quinazoline;8-methyl-2-[(1-methylpyrazol-3-yl)methyl]-9-[[3-(1-methylpyrazol-4-yl)phenyl]methyl]-5,6-dihydropyrrolo[3,4-h]quinazoline is CN(C)CCn1ccc(Cc2ncc3c(n2)-c2c(cn(C)c2Cc2cccc(-c4cnn(C)c4)c2)CC3)n1.COCCn1ccc(Cc2ncc3c(n2)-c2c(cn(C)c2Cc2cccc(-c4cnn(C)c4)c2)CC3)n1.Cn1cc(-c2cccc(Cc3c4c(cn3C)CCc3cnc(Cc5ccn(C)n5)nc3-4)c2)cn1.

What is the InChIKey of N,N-dimethyl-2-[3-[[8-methyl-9-[[3-(1-methylpyrazol-4-yl)phenyl]methyl]-5,6-dihydropyrrolo[3,4-h]quinazolin-2-yl]methyl]pyrazol-1-yl]ethanamine;2-[[1-(2-methoxyethyl)pyrazol-3-yl]methyl]-8-methyl-9-[[3-(1-methylpyrazol-4-yl)phenyl]methyl]-5,6-dihydropyrrolo[3,4-h]quinazoline;8-methyl-2-[(1-methylpyrazol-3-yl)methyl]-9-[[3-(1-methylpyrazol-4-yl)phenyl]methyl]-5,6-dihydropyrrolo[3,4-h]quinazoline?

The InChIKey is BRDVOSWIDSGQDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H34N8.C29H31N7O.C27H27N7/c1-35(2)12-13-38-11-10-26(34-38)16-28-31-17-23-8-9-24-19-36(3)27(29(24)30(23)33-28)15-21-6-5-7-22(14-21)25-18-32-37(4)20-25;1-34-18-23-8-7-22-16-30-27(15-25-9-10-36(33-25)11-12-37-3)32-29(22)28(23)26(34)14-20-5-4-6-21(13-20)24-17-31-35(2)19-24;1-32-16-21-8-7-20-14-28-25(13-23-9-10-33(2)31-23)30-27(20)26(21)24(32)12-18-5-4-6-19(11-18)22-15-29-34(3)17-22/h5-7,10-11,14,17-20H,8-9,12-13,15-16H2,1-4H3;4-6,9-10,13,16-19H,7-8,11-12,14-15H2,1-3H3;4-6,9-11,14-17H,7-8,12-13H2,1-3H3.

What are the key properties of N,N-dimethyl-2-[3-[[8-methyl-9-[[3-(1-methylpyrazol-4-yl)phenyl]methyl]-5,6-dihydropyrrolo[3,4-h]quinazolin-2-yl]methyl]pyrazol-1-yl]ethanamine;2-[[1-(2-methoxyethyl)pyrazol-3-yl]methyl]-8-methyl-9-[[3-(1-methylpyrazol-4-yl)phenyl]methyl]-5,6-dihydropyrrolo[3,4-h]quinazoline;8-methyl-2-[(1-methylpyrazol-3-yl)methyl]-9-[[3-(1-methylpyrazol-4-yl)phenyl]methyl]-5,6-dihydropyrrolo[3,4-h]quinazoline?

N,N-dimethyl-2-[3-[[8-methyl-9-[[3-(1-methylpyrazol-4-yl)phenyl]methyl]-5,6-dihydropyrrolo[3,4-h]quinazolin-2-yl]methyl]pyrazol-1-yl]ethanamine;2-[[1-(2-methoxyethyl)pyrazol-3-yl]methyl]-8-methyl-9-[[3-(1-methylpyrazol-4-yl)phenyl]methyl]-5,6-dihydropyrrolo[3,4-h]quinazoline;8-methyl-2-[(1-methylpyrazol-3-yl)methyl]-9-[[3-(1-methylpyrazol-4-yl)phenyl]methyl]-5,6-dihydropyrrolo[3,4-h]quinazoline has a molecular weight of 1449.83 g/mol, XLogP of 11.82, 21 rotatable bonds, 0 hydrogen bond donors, and 23 hydrogen bond acceptors.

Where does this data come from?

All data for N,N-dimethyl-2-[3-[[8-methyl-9-[[3-(1-methylpyrazol-4-yl)phenyl]methyl]-5,6-dihydropyrrolo[3,4-h]quinazolin-2-yl]methyl]pyrazol-1-yl]ethanamine;2-[[1-(2-methoxyethyl)pyrazol-3-yl]methyl]-8-methyl-9-[[3-(1-methylpyrazol-4-yl)phenyl]methyl]-5,6-dihydropyrrolo[3,4-h]quinazoline;8-methyl-2-[(1-methylpyrazol-3-yl)methyl]-9-[[3-(1-methylpyrazol-4-yl)phenyl]methyl]-5,6-dihydropyrrolo[3,4-h]quinazoline is sourced from PubChem (CID 157436451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).