2-(dimethylamino)-1-[2-[2-methyl-3-[2-methyl-3-[[3-[[(3R)-3-methylpyrrolidin-1-yl]methyl]-1,7-naphthyridin-8-yl]amino]phenyl]phenyl]-4,6-dihydropyrrolo[3,4-d][1,3]thiazol-5-yl]ethanone

C37H41N7OS — CID 175711284

About 2-(dimethylamino)-1-[2-[2-methyl-3-[2-methyl-3-[[3-[[(3R)-3-methylpyrrolidin-1-yl]methyl]-1,7-naphthyridin-8-yl]amino]phenyl]phenyl]-4,6-dihydropyrrolo[3,4-d][1,3]thiazol-5-yl]ethanone

2-(dimethylamino)-1-[2-[2-methyl-3-[2-methyl-3-[[3-[[(3R)-3-methylpyrrolidin-1-yl]methyl]-1,7-naphthyridin-8-yl]amino]phenyl]phenyl]-4,6-dihydropyrrolo[3,4-d][1,3]thiazol-5-yl]ethanone (PubChem CID 175711284) has the molecular formula C37H41N7OS and a molecular weight of 631.85 g/mol. Its IUPAC name is 2-(dimethylamino)-1-[2-[2-methyl-3-[2-methyl-3-[[3-[[(3R)-3-methylpyrrolidin-1-yl]methyl]-1,7-naphthyridin-8-yl]amino]phenyl]phenyl]-4,6-dihydropyrrolo[3,4-d][1,3]thiazol-5-yl]ethanone.

Molecular Properties

• Compound Name: 2-(dimethylamino)-1-[2-[2-methyl-3-[2-methyl-3-[[3-[[(3R)-3-methylpyrrolidin-1-yl]methyl]-1,7-naphthyridin-8-yl]amino]phenyl]phenyl]-4,6-dihydropyrrolo[3,4-d][1,3]thiazol-5-yl]ethanone
• PubChem CID: 175711284
• Molecular Formula: C37H41N7OS
• Molecular Weight: 631.85 g/mol
• Exact Mass: 631.31
• IUPAC Name: 2-(dimethylamino)-1-[2-[2-methyl-3-[2-methyl-3-[[3-[[(3R)-3-methylpyrrolidin-1-yl]methyl]-1,7-naphthyridin-8-yl]amino]phenyl]phenyl]-4,6-dihydropyrrolo[3,4-d][1,3]thiazol-5-yl]ethanone
• SMILES: Cc1c(Nc2nccc3cc(CN4CC[C@@H](C)C4)cnc23)cccc1-c1cccc(-c2nc3c(s2)CN(C(=O)CN(C)C)C3)c1C
• InChI: InChI=1S/C37H41N7OS/c1-23-13-15-43(18-23)19-26-16-27-12-14-38-36(35(27)39-17-26)40-31-11-7-9-29(25(31)3)28-8-6-10-30(24(28)2)37-41-32-20-44(21-33(32)46-37)34(45)22-42(4)5/h6-12,14,16-17,23H,13,15,18-22H2,1-5H3,(H,38,40)/t23-/m1/s1
• InChIKey: AIHJJVHRHZCJIV-HSZRJFAPSA-N
• XLogP: 7.03
• TPSA: 77.49 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 8
• Heavy Atoms: 46
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	631.85
LogP ≤ 5	7.03
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 2-(dimethylamino)-1-[2-[2-methyl-3-[2-methyl-3-[[3-[[(3R)-3-methylpyrrolidin-1-yl]methyl]-1,7-naphthyridin-8-yl]amino]phenyl]phenyl]-4,6-dihydropyrrolo[3,4-d][1,3]thiazol-5-yl]ethanone?

The IUPAC name of 2-(dimethylamino)-1-[2-[2-methyl-3-[2-methyl-3-[[3-[[(3R)-3-methylpyrrolidin-1-yl]methyl]-1,7-naphthyridin-8-yl]amino]phenyl]phenyl]-4,6-dihydropyrrolo[3,4-d][1,3]thiazol-5-yl]ethanone (CID 175711284) is 2-(dimethylamino)-1-[2-[2-methyl-3-[2-methyl-3-[[3-[[(3R)-3-methylpyrrolidin-1-yl]methyl]-1,7-naphthyridin-8-yl]amino]phenyl]phenyl]-4,6-dihydropyrrolo[3,4-d][1,3]thiazol-5-yl]ethanone.

What is the SMILES notation for 2-(dimethylamino)-1-[2-[2-methyl-3-[2-methyl-3-[[3-[[(3R)-3-methylpyrrolidin-1-yl]methyl]-1,7-naphthyridin-8-yl]amino]phenyl]phenyl]-4,6-dihydropyrrolo[3,4-d][1,3]thiazol-5-yl]ethanone?

The canonical SMILES for 2-(dimethylamino)-1-[2-[2-methyl-3-[2-methyl-3-[[3-[[(3R)-3-methylpyrrolidin-1-yl]methyl]-1,7-naphthyridin-8-yl]amino]phenyl]phenyl]-4,6-dihydropyrrolo[3,4-d][1,3]thiazol-5-yl]ethanone is Cc1c(Nc2nccc3cc(CN4CC[C@@H](C)C4)cnc23)cccc1-c1cccc(-c2nc3c(s2)CN(C(=O)CN(C)C)C3)c1C.

What is the InChIKey of 2-(dimethylamino)-1-[2-[2-methyl-3-[2-methyl-3-[[3-[[(3R)-3-methylpyrrolidin-1-yl]methyl]-1,7-naphthyridin-8-yl]amino]phenyl]phenyl]-4,6-dihydropyrrolo[3,4-d][1,3]thiazol-5-yl]ethanone?

The InChIKey is AIHJJVHRHZCJIV-HSZRJFAPSA-N. The full InChI is InChI=1S/C37H41N7OS/c1-23-13-15-43(18-23)19-26-16-27-12-14-38-36(35(27)39-17-26)40-31-11-7-9-29(25(31)3)28-8-6-10-30(24(28)2)37-41-32-20-44(21-33(32)46-37)34(45)22-42(4)5/h6-12,14,16-17,23H,13,15,18-22H2,1-5H3,(H,38,40)/t23-/m1/s1.

What are the key properties of 2-(dimethylamino)-1-[2-[2-methyl-3-[2-methyl-3-[[3-[[(3R)-3-methylpyrrolidin-1-yl]methyl]-1,7-naphthyridin-8-yl]amino]phenyl]phenyl]-4,6-dihydropyrrolo[3,4-d][1,3]thiazol-5-yl]ethanone?

2-(dimethylamino)-1-[2-[2-methyl-3-[2-methyl-3-[[3-[[(3R)-3-methylpyrrolidin-1-yl]methyl]-1,7-naphthyridin-8-yl]amino]phenyl]phenyl]-4,6-dihydropyrrolo[3,4-d][1,3]thiazol-5-yl]ethanone has a molecular weight of 631.85 g/mol, XLogP of 7.03, 8 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(dimethylamino)-1-[2-[2-methyl-3-[2-methyl-3-[[3-[[(3R)-3-methylpyrrolidin-1-yl]methyl]-1,7-naphthyridin-8-yl]amino]phenyl]phenyl]-4,6-dihydropyrrolo[3,4-d][1,3]thiazol-5-yl]ethanone is sourced from PubChem (CID 175711284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).