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

C22H22ClN7O2 — CID 170094878

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

2-[(1S)-1-(3-chlorophenyl)-2-hydroxyethyl]-6-[2-[(2-methylpyrazol-3-yl)amino]pyrimidin-4-yl]-1,3-dihydropyrrolo[1,2-c]imidazol-3-ol (PubChem CID 170094878) has the molecular formula C22H22ClN7O2 and a molecular weight of 451.92 g/mol. Its IUPAC name is 2-[(1S)-1-(3-chlorophenyl)-2-hydroxyethyl]-6-[2-[(2-methylpyrazol-3-yl)amino]pyrimidin-4-yl]-1,3-dihydropyrrolo[1,2-c]imidazol-3-ol.

Molecular Properties

• Compound Name: 2-[(1S)-1-(3-chlorophenyl)-2-hydroxyethyl]-6-[2-[(2-methylpyrazol-3-yl)amino]pyrimidin-4-yl]-1,3-dihydropyrrolo[1,2-c]imidazol-3-ol
• PubChem CID: 170094878
• Molecular Formula: C22H22ClN7O2
• Molecular Weight: 451.92 g/mol
• Exact Mass: 451.15
• IUPAC Name: 2-[(1S)-1-(3-chlorophenyl)-2-hydroxyethyl]-6-[2-[(2-methylpyrazol-3-yl)amino]pyrimidin-4-yl]-1,3-dihydropyrrolo[1,2-c]imidazol-3-ol
• SMILES: Cn1nccc1Nc1nccc(-c2cc3n(c2)C(O)N([C@H](CO)c2cccc(Cl)c2)C3)n1
• InChI: InChI=1S/C22H22ClN7O2/c1-28-20(6-8-25-28)27-21-24-7-5-18(26-21)15-10-17-12-30(22(32)29(17)11-15)19(13-31)14-3-2-4-16(23)9-14/h2-11,19,22,31-32H,12-13H2,1H3,(H,24,26,27)/t19-,22?/m1/s1
• InChIKey: QQRNDPNHHFHZLW-LCQOSCCDSA-N
• XLogP: 3.07
• TPSA: 104.26 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 9
• Rotatable Bonds: 6
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	451.92
LogP ≤ 5	3.07
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

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

The IUPAC name of 2-[(1S)-1-(3-chlorophenyl)-2-hydroxyethyl]-6-[2-[(2-methylpyrazol-3-yl)amino]pyrimidin-4-yl]-1,3-dihydropyrrolo[1,2-c]imidazol-3-ol (CID 170094878) is 2-[(1S)-1-(3-chlorophenyl)-2-hydroxyethyl]-6-[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)-1-(3-chlorophenyl)-2-hydroxyethyl]-6-[2-[(2-methylpyrazol-3-yl)amino]pyrimidin-4-yl]-1,3-dihydropyrrolo[1,2-c]imidazol-3-ol?

The canonical SMILES for 2-[(1S)-1-(3-chlorophenyl)-2-hydroxyethyl]-6-[2-[(2-methylpyrazol-3-yl)amino]pyrimidin-4-yl]-1,3-dihydropyrrolo[1,2-c]imidazol-3-ol is Cn1nccc1Nc1nccc(-c2cc3n(c2)C(O)N([C@H](CO)c2cccc(Cl)c2)C3)n1.

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

The InChIKey is QQRNDPNHHFHZLW-LCQOSCCDSA-N. The full InChI is InChI=1S/C22H22ClN7O2/c1-28-20(6-8-25-28)27-21-24-7-5-18(26-21)15-10-17-12-30(22(32)29(17)11-15)19(13-31)14-3-2-4-16(23)9-14/h2-11,19,22,31-32H,12-13H2,1H3,(H,24,26,27)/t19-,22?/m1/s1.

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

2-[(1S)-1-(3-chlorophenyl)-2-hydroxyethyl]-6-[2-[(2-methylpyrazol-3-yl)amino]pyrimidin-4-yl]-1,3-dihydropyrrolo[1,2-c]imidazol-3-ol has a molecular weight of 451.92 g/mol, XLogP of 3.07, 6 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[(1S)-1-(3-chlorophenyl)-2-hydroxyethyl]-6-[2-[(2-methylpyrazol-3-yl)amino]pyrimidin-4-yl]-1,3-dihydropyrrolo[1,2-c]imidazol-3-ol is sourced from PubChem (CID 170094878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).