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

C90H102N24O — CID 158203251

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

N,N-dimethyl-2-[3-[[8-methyl-9-[4-(1-methylpyrazol-4-yl)phenyl]-5,6-dihydropyrrolo[3,4-h]quinazolin-2-yl]methyl]pyrazol-1-yl]ethanamine;2-[4-[4-[2-[(1-ethylpyrazol-3-yl)methyl]-8-methyl-5,6-dihydropyrrolo[3,4-h]quinazolin-9-yl]phenyl]pyrazol-1-yl]-N,N-dimethylethanamine;2-[3-[[9-[4-[1-(2-methoxyethyl)pyrazol-4-yl]phenyl]-8-methyl-5,6-dihydropyrrolo[3,4-h]quinazolin-2-yl]methyl]pyrazol-1-yl]-N,N-dimethylethanamine (PubChem CID 158203251) has the molecular formula C90H102N24O and a molecular weight of 1535.97 g/mol. Its IUPAC name is N,N-dimethyl-2-[3-[[8-methyl-9-[4-(1-methylpyrazol-4-yl)phenyl]-5,6-dihydropyrrolo[3,4-h]quinazolin-2-yl]methyl]pyrazol-1-yl]ethanamine;2-[4-[4-[2-[(1-ethylpyrazol-3-yl)methyl]-8-methyl-5,6-dihydropyrrolo[3,4-h]quinazolin-9-yl]phenyl]pyrazol-1-yl]-N,N-dimethylethanamine;2-[3-[[9-[4-[1-(2-methoxyethyl)pyrazol-4-yl]phenyl]-8-methyl-5,6-dihydropyrrolo[3,4-h]quinazolin-2-yl]methyl]pyrazol-1-yl]-N,N-dimethylethanamine.

Molecular Properties

• Compound Name: N,N-dimethyl-2-[3-[[8-methyl-9-[4-(1-methylpyrazol-4-yl)phenyl]-5,6-dihydropyrrolo[3,4-h]quinazolin-2-yl]methyl]pyrazol-1-yl]ethanamine;2-[4-[4-[2-[(1-ethylpyrazol-3-yl)methyl]-8-methyl-5,6-dihydropyrrolo[3,4-h]quinazolin-9-yl]phenyl]pyrazol-1-yl]-N,N-dimethylethanamine;2-[3-[[9-[4-[1-(2-methoxyethyl)pyrazol-4-yl]phenyl]-8-methyl-5,6-dihydropyrrolo[3,4-h]quinazolin-2-yl]methyl]pyrazol-1-yl]-N,N-dimethylethanamine
• PubChem CID: 158203251
• Molecular Formula: C90H102N24O
• Molecular Weight: 1535.97 g/mol
• Exact Mass: 1534.87
• IUPAC Name: N,N-dimethyl-2-[3-[[8-methyl-9-[4-(1-methylpyrazol-4-yl)phenyl]-5,6-dihydropyrrolo[3,4-h]quinazolin-2-yl]methyl]pyrazol-1-yl]ethanamine;2-[4-[4-[2-[(1-ethylpyrazol-3-yl)methyl]-8-methyl-5,6-dihydropyrrolo[3,4-h]quinazolin-9-yl]phenyl]pyrazol-1-yl]-N,N-dimethylethanamine;2-[3-[[9-[4-[1-(2-methoxyethyl)pyrazol-4-yl]phenyl]-8-methyl-5,6-dihydropyrrolo[3,4-h]quinazolin-2-yl]methyl]pyrazol-1-yl]-N,N-dimethylethanamine
• SMILES: CCn1ccc(Cc2ncc3c(n2)-c2c(cn(C)c2-c2ccc(-c4cnn(CCN(C)C)c4)cc2)CC3)n1.CN(C)CCn1ccc(Cc2ncc3c(n2)-c2c(cn(C)c2-c2ccc(-c4cnn(C)c4)cc2)CC3)n1.COCCn1cc(-c2ccc(-c3c4c(cn3C)CCc3cnc(Cc5ccn(CCN(C)C)n5)nc3-4)cc2)cn1
• InChI: InChI=1S/C31H36N8O.C30H34N8.C29H32N8/c1-36(2)13-14-38-12-11-27(35-38)17-28-32-18-24-9-10-25-20-37(3)31(29(25)30(24)34-28)23-7-5-22(6-8-23)26-19-33-39(21-26)15-16-40-4;1-5-37-13-12-26(34-37)16-27-31-17-23-10-11-24-19-36(4)30(28(24)29(23)33-27)22-8-6-21(7-9-22)25-18-32-38(20-25)15-14-35(2)3;1-34(2)13-14-37-12-11-25(33-37)15-26-30-16-22-9-10-23-18-35(3)29(27(23)28(22)32-26)21-7-5-20(6-8-21)24-17-31-36(4)19-24/h5-8,11-12,18-21H,9-10,13-17H2,1-4H3;6-9,12-13,17-20H,5,10-11,14-16H2,1-4H3;5-8,11-12,16-19H,9-10,13-15H2,1-4H3
• InChIKey: GBEQKZSJINTZMT-UHFFFAOYSA-N
• XLogP: 12.58
• TPSA: 218.00 Ų
• H-Bond Acceptors: 25
• Rotatable Bonds: 25
• Heavy Atoms: 115
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1535.97
LogP ≤ 5	12.58
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	25

Frequently Asked Questions

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

The IUPAC name of N,N-dimethyl-2-[3-[[8-methyl-9-[4-(1-methylpyrazol-4-yl)phenyl]-5,6-dihydropyrrolo[3,4-h]quinazolin-2-yl]methyl]pyrazol-1-yl]ethanamine;2-[4-[4-[2-[(1-ethylpyrazol-3-yl)methyl]-8-methyl-5,6-dihydropyrrolo[3,4-h]quinazolin-9-yl]phenyl]pyrazol-1-yl]-N,N-dimethylethanamine;2-[3-[[9-[4-[1-(2-methoxyethyl)pyrazol-4-yl]phenyl]-8-methyl-5,6-dihydropyrrolo[3,4-h]quinazolin-2-yl]methyl]pyrazol-1-yl]-N,N-dimethylethanamine (CID 158203251) is N,N-dimethyl-2-[3-[[8-methyl-9-[4-(1-methylpyrazol-4-yl)phenyl]-5,6-dihydropyrrolo[3,4-h]quinazolin-2-yl]methyl]pyrazol-1-yl]ethanamine;2-[4-[4-[2-[(1-ethylpyrazol-3-yl)methyl]-8-methyl-5,6-dihydropyrrolo[3,4-h]quinazolin-9-yl]phenyl]pyrazol-1-yl]-N,N-dimethylethanamine;2-[3-[[9-[4-[1-(2-methoxyethyl)pyrazol-4-yl]phenyl]-8-methyl-5,6-dihydropyrrolo[3,4-h]quinazolin-2-yl]methyl]pyrazol-1-yl]-N,N-dimethylethanamine.

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

The canonical SMILES for N,N-dimethyl-2-[3-[[8-methyl-9-[4-(1-methylpyrazol-4-yl)phenyl]-5,6-dihydropyrrolo[3,4-h]quinazolin-2-yl]methyl]pyrazol-1-yl]ethanamine;2-[4-[4-[2-[(1-ethylpyrazol-3-yl)methyl]-8-methyl-5,6-dihydropyrrolo[3,4-h]quinazolin-9-yl]phenyl]pyrazol-1-yl]-N,N-dimethylethanamine;2-[3-[[9-[4-[1-(2-methoxyethyl)pyrazol-4-yl]phenyl]-8-methyl-5,6-dihydropyrrolo[3,4-h]quinazolin-2-yl]methyl]pyrazol-1-yl]-N,N-dimethylethanamine is CCn1ccc(Cc2ncc3c(n2)-c2c(cn(C)c2-c2ccc(-c4cnn(CCN(C)C)c4)cc2)CC3)n1.CN(C)CCn1ccc(Cc2ncc3c(n2)-c2c(cn(C)c2-c2ccc(-c4cnn(C)c4)cc2)CC3)n1.COCCn1cc(-c2ccc(-c3c4c(cn3C)CCc3cnc(Cc5ccn(CCN(C)C)n5)nc3-4)cc2)cn1.

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

The InChIKey is GBEQKZSJINTZMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H36N8O.C30H34N8.C29H32N8/c1-36(2)13-14-38-12-11-27(35-38)17-28-32-18-24-9-10-25-20-37(3)31(29(25)30(24)34-28)23-7-5-22(6-8-23)26-19-33-39(21-26)15-16-40-4;1-5-37-13-12-26(34-37)16-27-31-17-23-10-11-24-19-36(4)30(28(24)29(23)33-27)22-8-6-21(7-9-22)25-18-32-38(20-25)15-14-35(2)3;1-34(2)13-14-37-12-11-25(33-37)15-26-30-16-22-9-10-23-18-35(3)29(27(23)28(22)32-26)21-7-5-20(6-8-21)24-17-31-36(4)19-24/h5-8,11-12,18-21H,9-10,13-17H2,1-4H3;6-9,12-13,17-20H,5,10-11,14-16H2,1-4H3;5-8,11-12,16-19H,9-10,13-15H2,1-4H3.

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

N,N-dimethyl-2-[3-[[8-methyl-9-[4-(1-methylpyrazol-4-yl)phenyl]-5,6-dihydropyrrolo[3,4-h]quinazolin-2-yl]methyl]pyrazol-1-yl]ethanamine;2-[4-[4-[2-[(1-ethylpyrazol-3-yl)methyl]-8-methyl-5,6-dihydropyrrolo[3,4-h]quinazolin-9-yl]phenyl]pyrazol-1-yl]-N,N-dimethylethanamine;2-[3-[[9-[4-[1-(2-methoxyethyl)pyrazol-4-yl]phenyl]-8-methyl-5,6-dihydropyrrolo[3,4-h]quinazolin-2-yl]methyl]pyrazol-1-yl]-N,N-dimethylethanamine has a molecular weight of 1535.97 g/mol, XLogP of 12.58, 25 rotatable bonds, 0 hydrogen bond donors, and 25 hydrogen bond acceptors.

Where does this data come from?

All data for N,N-dimethyl-2-[3-[[8-methyl-9-[4-(1-methylpyrazol-4-yl)phenyl]-5,6-dihydropyrrolo[3,4-h]quinazolin-2-yl]methyl]pyrazol-1-yl]ethanamine;2-[4-[4-[2-[(1-ethylpyrazol-3-yl)methyl]-8-methyl-5,6-dihydropyrrolo[3,4-h]quinazolin-9-yl]phenyl]pyrazol-1-yl]-N,N-dimethylethanamine;2-[3-[[9-[4-[1-(2-methoxyethyl)pyrazol-4-yl]phenyl]-8-methyl-5,6-dihydropyrrolo[3,4-h]quinazolin-2-yl]methyl]pyrazol-1-yl]-N,N-dimethylethanamine is sourced from PubChem (CID 158203251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).