4-[2-[4-[3-[[2-[(1-ethylpyrazol-3-yl)methyl]-8-methyl-5,6-dihydropyrrolo[3,4-h]quinazolin-9-yl]methyl]phenyl]pyrazol-1-yl]ethyl]morpholine;methane;(2S)-4-[2-[4-[3-[[2-[[1-(2-methoxyethyl)pyrazol-3-yl]methyl]-8-methyl-5,6-dihydropyrazolo[3,4-h]quinazolin-9-yl]methyl]phenyl]pyrazol-1-yl]ethyl]-2-methylmorpholine

C68H83N17O3 — CID 158145431

About 4-[2-[4-[3-[[2-[(1-ethylpyrazol-3-yl)methyl]-8-methyl-5,6-dihydropyrrolo[3,4-h]quinazolin-9-yl]methyl]phenyl]pyrazol-1-yl]ethyl]morpholine;methane;(2S)-4-[2-[4-[3-[[2-[[1-(2-methoxyethyl)pyrazol-3-yl]methyl]-8-methyl-5,6-dihydropyrazolo[3,4-h]quinazolin-9-yl]methyl]phenyl]pyrazol-1-yl]ethyl]-2-methylmorpholine

4-[2-[4-[3-[[2-[(1-ethylpyrazol-3-yl)methyl]-8-methyl-5,6-dihydropyrrolo[3,4-h]quinazolin-9-yl]methyl]phenyl]pyrazol-1-yl]ethyl]morpholine;methane;(2S)-4-[2-[4-[3-[[2-[[1-(2-methoxyethyl)pyrazol-3-yl]methyl]-8-methyl-5,6-dihydropyrazolo[3,4-h]quinazolin-9-yl]methyl]phenyl]pyrazol-1-yl]ethyl]-2-methylmorpholine (PubChem CID 158145431) has the molecular formula C68H83N17O3 and a molecular weight of 1186.53 g/mol. Its IUPAC name is 4-[2-[4-[3-[[2-[(1-ethylpyrazol-3-yl)methyl]-8-methyl-5,6-dihydropyrrolo[3,4-h]quinazolin-9-yl]methyl]phenyl]pyrazol-1-yl]ethyl]morpholine;methane;(2S)-4-[2-[4-[3-[[2-[[1-(2-methoxyethyl)pyrazol-3-yl]methyl]-8-methyl-5,6-dihydropyrazolo[3,4-h]quinazolin-9-yl]methyl]phenyl]pyrazol-1-yl]ethyl]-2-methylmorpholine.

Molecular Properties

• Compound Name: 4-[2-[4-[3-[[2-[(1-ethylpyrazol-3-yl)methyl]-8-methyl-5,6-dihydropyrrolo[3,4-h]quinazolin-9-yl]methyl]phenyl]pyrazol-1-yl]ethyl]morpholine;methane;(2S)-4-[2-[4-[3-[[2-[[1-(2-methoxyethyl)pyrazol-3-yl]methyl]-8-methyl-5,6-dihydropyrazolo[3,4-h]quinazolin-9-yl]methyl]phenyl]pyrazol-1-yl]ethyl]-2-methylmorpholine
• PubChem CID: 158145431
• Molecular Formula: C68H83N17O3
• Molecular Weight: 1186.53 g/mol
• Exact Mass: 1185.69
• IUPAC Name: 4-[2-[4-[3-[[2-[(1-ethylpyrazol-3-yl)methyl]-8-methyl-5,6-dihydropyrrolo[3,4-h]quinazolin-9-yl]methyl]phenyl]pyrazol-1-yl]ethyl]morpholine;methane;(2S)-4-[2-[4-[3-[[2-[[1-(2-methoxyethyl)pyrazol-3-yl]methyl]-8-methyl-5,6-dihydropyrazolo[3,4-h]quinazolin-9-yl]methyl]phenyl]pyrazol-1-yl]ethyl]-2-methylmorpholine
• SMILES: C.CCn1ccc(Cc2ncc3c(n2)-c2c(cn(C)c2Cc2cccc(-c4cnn(CCN5CCOCC5)c4)c2)CC3)n1.COCCn1ccc(Cc2ncc3c(n2)-c2c(nn(C)c2Cc2cccc(-c4cnn(CCN5CCO[C@@H](C)C5)c4)c2)CC3)n1
• InChI: InChI=1S/C34H41N9O2.C33H38N8O.CH4/c1-24-22-41(13-16-45-24)11-12-43-23-28(21-36-43)26-6-4-5-25(17-26)18-31-33-30(39-40(31)2)8-7-27-20-35-32(37-34(27)33)19-29-9-10-42(38-29)14-15-44-3;1-3-40-10-9-29(37-40)19-31-34-20-26-7-8-27-22-38(2)30(32(27)33(26)36-31)18-24-5-4-6-25(17-24)28-21-35-41(23-28)12-11-39-13-15-42-16-14-39;/h4-6,9-10,17,20-21,23-24H,7-8,11-16,18-19,22H2,1-3H3;4-6,9-10,17,20-23H,3,7-8,11-16,18-19H2,1-2H3;1H4/t24-;;/m0../s1
• InChIKey: FULOSKQDMQCKCT-ASMAMLKCSA-N
• XLogP: 8.39
• TPSA: 179.76 Ų
• H-Bond Acceptors: 20
• Rotatable Bonds: 20
• Heavy Atoms: 88
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1186.53
LogP ≤ 5	8.39
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	20

Frequently Asked Questions

What is the IUPAC name of 4-[2-[4-[3-[[2-[(1-ethylpyrazol-3-yl)methyl]-8-methyl-5,6-dihydropyrrolo[3,4-h]quinazolin-9-yl]methyl]phenyl]pyrazol-1-yl]ethyl]morpholine;methane;(2S)-4-[2-[4-[3-[[2-[[1-(2-methoxyethyl)pyrazol-3-yl]methyl]-8-methyl-5,6-dihydropyrazolo[3,4-h]quinazolin-9-yl]methyl]phenyl]pyrazol-1-yl]ethyl]-2-methylmorpholine?

The IUPAC name of 4-[2-[4-[3-[[2-[(1-ethylpyrazol-3-yl)methyl]-8-methyl-5,6-dihydropyrrolo[3,4-h]quinazolin-9-yl]methyl]phenyl]pyrazol-1-yl]ethyl]morpholine;methane;(2S)-4-[2-[4-[3-[[2-[[1-(2-methoxyethyl)pyrazol-3-yl]methyl]-8-methyl-5,6-dihydropyrazolo[3,4-h]quinazolin-9-yl]methyl]phenyl]pyrazol-1-yl]ethyl]-2-methylmorpholine (CID 158145431) is 4-[2-[4-[3-[[2-[(1-ethylpyrazol-3-yl)methyl]-8-methyl-5,6-dihydropyrrolo[3,4-h]quinazolin-9-yl]methyl]phenyl]pyrazol-1-yl]ethyl]morpholine;methane;(2S)-4-[2-[4-[3-[[2-[[1-(2-methoxyethyl)pyrazol-3-yl]methyl]-8-methyl-5,6-dihydropyrazolo[3,4-h]quinazolin-9-yl]methyl]phenyl]pyrazol-1-yl]ethyl]-2-methylmorpholine.

What is the SMILES notation for 4-[2-[4-[3-[[2-[(1-ethylpyrazol-3-yl)methyl]-8-methyl-5,6-dihydropyrrolo[3,4-h]quinazolin-9-yl]methyl]phenyl]pyrazol-1-yl]ethyl]morpholine;methane;(2S)-4-[2-[4-[3-[[2-[[1-(2-methoxyethyl)pyrazol-3-yl]methyl]-8-methyl-5,6-dihydropyrazolo[3,4-h]quinazolin-9-yl]methyl]phenyl]pyrazol-1-yl]ethyl]-2-methylmorpholine?

The canonical SMILES for 4-[2-[4-[3-[[2-[(1-ethylpyrazol-3-yl)methyl]-8-methyl-5,6-dihydropyrrolo[3,4-h]quinazolin-9-yl]methyl]phenyl]pyrazol-1-yl]ethyl]morpholine;methane;(2S)-4-[2-[4-[3-[[2-[[1-(2-methoxyethyl)pyrazol-3-yl]methyl]-8-methyl-5,6-dihydropyrazolo[3,4-h]quinazolin-9-yl]methyl]phenyl]pyrazol-1-yl]ethyl]-2-methylmorpholine is C.CCn1ccc(Cc2ncc3c(n2)-c2c(cn(C)c2Cc2cccc(-c4cnn(CCN5CCOCC5)c4)c2)CC3)n1.COCCn1ccc(Cc2ncc3c(n2)-c2c(nn(C)c2Cc2cccc(-c4cnn(CCN5CCO[C@@H](C)C5)c4)c2)CC3)n1.

What is the InChIKey of 4-[2-[4-[3-[[2-[(1-ethylpyrazol-3-yl)methyl]-8-methyl-5,6-dihydropyrrolo[3,4-h]quinazolin-9-yl]methyl]phenyl]pyrazol-1-yl]ethyl]morpholine;methane;(2S)-4-[2-[4-[3-[[2-[[1-(2-methoxyethyl)pyrazol-3-yl]methyl]-8-methyl-5,6-dihydropyrazolo[3,4-h]quinazolin-9-yl]methyl]phenyl]pyrazol-1-yl]ethyl]-2-methylmorpholine?

The InChIKey is FULOSKQDMQCKCT-ASMAMLKCSA-N. The full InChI is InChI=1S/C34H41N9O2.C33H38N8O.CH4/c1-24-22-41(13-16-45-24)11-12-43-23-28(21-36-43)26-6-4-5-25(17-26)18-31-33-30(39-40(31)2)8-7-27-20-35-32(37-34(27)33)19-29-9-10-42(38-29)14-15-44-3;1-3-40-10-9-29(37-40)19-31-34-20-26-7-8-27-22-38(2)30(32(27)33(26)36-31)18-24-5-4-6-25(17-24)28-21-35-41(23-28)12-11-39-13-15-42-16-14-39;/h4-6,9-10,17,20-21,23-24H,7-8,11-16,18-19,22H2,1-3H3;4-6,9-10,17,20-23H,3,7-8,11-16,18-19H2,1-2H3;1H4/t24-;;/m0../s1.

What are the key properties of 4-[2-[4-[3-[[2-[(1-ethylpyrazol-3-yl)methyl]-8-methyl-5,6-dihydropyrrolo[3,4-h]quinazolin-9-yl]methyl]phenyl]pyrazol-1-yl]ethyl]morpholine;methane;(2S)-4-[2-[4-[3-[[2-[[1-(2-methoxyethyl)pyrazol-3-yl]methyl]-8-methyl-5,6-dihydropyrazolo[3,4-h]quinazolin-9-yl]methyl]phenyl]pyrazol-1-yl]ethyl]-2-methylmorpholine?

4-[2-[4-[3-[[2-[(1-ethylpyrazol-3-yl)methyl]-8-methyl-5,6-dihydropyrrolo[3,4-h]quinazolin-9-yl]methyl]phenyl]pyrazol-1-yl]ethyl]morpholine;methane;(2S)-4-[2-[4-[3-[[2-[[1-(2-methoxyethyl)pyrazol-3-yl]methyl]-8-methyl-5,6-dihydropyrazolo[3,4-h]quinazolin-9-yl]methyl]phenyl]pyrazol-1-yl]ethyl]-2-methylmorpholine has a molecular weight of 1186.53 g/mol, XLogP of 8.39, 20 rotatable bonds, 0 hydrogen bond donors, and 20 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[2-[4-[3-[[2-[(1-ethylpyrazol-3-yl)methyl]-8-methyl-5,6-dihydropyrrolo[3,4-h]quinazolin-9-yl]methyl]phenyl]pyrazol-1-yl]ethyl]morpholine;methane;(2S)-4-[2-[4-[3-[[2-[[1-(2-methoxyethyl)pyrazol-3-yl]methyl]-8-methyl-5,6-dihydropyrazolo[3,4-h]quinazolin-9-yl]methyl]phenyl]pyrazol-1-yl]ethyl]-2-methylmorpholine is sourced from PubChem (CID 158145431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).