2-[(1S)-2-amino-1-(3-chlorophenyl)ethyl]-6-[5-methyl-2-[(2-methylpyrazol-3-yl)amino]pyrimidin-4-yl]-1,3-dihydropyrrolo[1,2-c]imidazol-3-ol

C23H25ClN8O — CID 167109224

About 2-[(1S)-2-amino-1-(3-chlorophenyl)ethyl]-6-[5-methyl-2-[(2-methylpyrazol-3-yl)amino]pyrimidin-4-yl]-1,3-dihydropyrrolo[1,2-c]imidazol-3-ol

2-[(1S)-2-amino-1-(3-chlorophenyl)ethyl]-6-[5-methyl-2-[(2-methylpyrazol-3-yl)amino]pyrimidin-4-yl]-1,3-dihydropyrrolo[1,2-c]imidazol-3-ol (PubChem CID 167109224) has the molecular formula C23H25ClN8O and a molecular weight of 464.96 g/mol. Its IUPAC name is 2-[(1S)-2-amino-1-(3-chlorophenyl)ethyl]-6-[5-methyl-2-[(2-methylpyrazol-3-yl)amino]pyrimidin-4-yl]-1,3-dihydropyrrolo[1,2-c]imidazol-3-ol.

Molecular Properties

• Compound Name: 2-[(1S)-2-amino-1-(3-chlorophenyl)ethyl]-6-[5-methyl-2-[(2-methylpyrazol-3-yl)amino]pyrimidin-4-yl]-1,3-dihydropyrrolo[1,2-c]imidazol-3-ol
• PubChem CID: 167109224
• Molecular Formula: C23H25ClN8O
• Molecular Weight: 464.96 g/mol
• Exact Mass: 464.18
• IUPAC Name: 2-[(1S)-2-amino-1-(3-chlorophenyl)ethyl]-6-[5-methyl-2-[(2-methylpyrazol-3-yl)amino]pyrimidin-4-yl]-1,3-dihydropyrrolo[1,2-c]imidazol-3-ol
• SMILES: Cc1cnc(Nc2ccnn2C)nc1-c1cc2n(c1)C(O)N([C@H](CN)c1cccc(Cl)c1)C2
• InChI: InChI=1S/C23H25ClN8O/c1-14-11-26-22(28-20-6-7-27-30(20)2)29-21(14)16-9-18-13-32(23(33)31(18)12-16)19(10-25)15-4-3-5-17(24)8-15/h3-9,11-12,19,23,33H,10,13,25H2,1-2H3,(H,26,28,29)/t19-,23?/m1/s1
• InChIKey: NDGQTHWQBWWOMW-HWYAHNCWSA-N
• XLogP: 3.35
• TPSA: 110.05 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 9
• Rotatable Bonds: 6
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	464.96
LogP ≤ 5	3.35
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of 2-[(1S)-2-amino-1-(3-chlorophenyl)ethyl]-6-[5-methyl-2-[(2-methylpyrazol-3-yl)amino]pyrimidin-4-yl]-1,3-dihydropyrrolo[1,2-c]imidazol-3-ol?

The IUPAC name of 2-[(1S)-2-amino-1-(3-chlorophenyl)ethyl]-6-[5-methyl-2-[(2-methylpyrazol-3-yl)amino]pyrimidin-4-yl]-1,3-dihydropyrrolo[1,2-c]imidazol-3-ol (CID 167109224) is 2-[(1S)-2-amino-1-(3-chlorophenyl)ethyl]-6-[5-methyl-2-[(2-methylpyrazol-3-yl)amino]pyrimidin-4-yl]-1,3-dihydropyrrolo[1,2-c]imidazol-3-ol.

What is the SMILES notation for 2-[(1S)-2-amino-1-(3-chlorophenyl)ethyl]-6-[5-methyl-2-[(2-methylpyrazol-3-yl)amino]pyrimidin-4-yl]-1,3-dihydropyrrolo[1,2-c]imidazol-3-ol?

The canonical SMILES for 2-[(1S)-2-amino-1-(3-chlorophenyl)ethyl]-6-[5-methyl-2-[(2-methylpyrazol-3-yl)amino]pyrimidin-4-yl]-1,3-dihydropyrrolo[1,2-c]imidazol-3-ol is Cc1cnc(Nc2ccnn2C)nc1-c1cc2n(c1)C(O)N([C@H](CN)c1cccc(Cl)c1)C2.

What is the InChIKey of 2-[(1S)-2-amino-1-(3-chlorophenyl)ethyl]-6-[5-methyl-2-[(2-methylpyrazol-3-yl)amino]pyrimidin-4-yl]-1,3-dihydropyrrolo[1,2-c]imidazol-3-ol?

The InChIKey is NDGQTHWQBWWOMW-HWYAHNCWSA-N. The full InChI is InChI=1S/C23H25ClN8O/c1-14-11-26-22(28-20-6-7-27-30(20)2)29-21(14)16-9-18-13-32(23(33)31(18)12-16)19(10-25)15-4-3-5-17(24)8-15/h3-9,11-12,19,23,33H,10,13,25H2,1-2H3,(H,26,28,29)/t19-,23?/m1/s1.

What are the key properties of 2-[(1S)-2-amino-1-(3-chlorophenyl)ethyl]-6-[5-methyl-2-[(2-methylpyrazol-3-yl)amino]pyrimidin-4-yl]-1,3-dihydropyrrolo[1,2-c]imidazol-3-ol?

2-[(1S)-2-amino-1-(3-chlorophenyl)ethyl]-6-[5-methyl-2-[(2-methylpyrazol-3-yl)amino]pyrimidin-4-yl]-1,3-dihydropyrrolo[1,2-c]imidazol-3-ol has a molecular weight of 464.96 g/mol, XLogP of 3.35, 6 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[(1S)-2-amino-1-(3-chlorophenyl)ethyl]-6-[5-methyl-2-[(2-methylpyrazol-3-yl)amino]pyrimidin-4-yl]-1,3-dihydropyrrolo[1,2-c]imidazol-3-ol is sourced from PubChem (CID 167109224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).