2-[(1S,2S)-2-[7-[2-[(2-methylpyrazol-3-yl)amino]pyrimidin-4-yl]-[1,2,4]triazolo[4,3-a]pyridin-3-yl]cyclopropyl]propan-2-ol

C20H22N8O — CID 122619914

About 2-[(1S,2S)-2-[7-[2-[(2-methylpyrazol-3-yl)amino]pyrimidin-4-yl]-[1,2,4]triazolo[4,3-a]pyridin-3-yl]cyclopropyl]propan-2-ol

2-[(1S,2S)-2-[7-[2-[(2-methylpyrazol-3-yl)amino]pyrimidin-4-yl]-[1,2,4]triazolo[4,3-a]pyridin-3-yl]cyclopropyl]propan-2-ol (PubChem CID 122619914) has the molecular formula C20H22N8O and a molecular weight of 390.45 g/mol. Its IUPAC name is 2-[(1S,2S)-2-[7-[2-[(2-methylpyrazol-3-yl)amino]pyrimidin-4-yl]-[1,2,4]triazolo[4,3-a]pyridin-3-yl]cyclopropyl]propan-2-ol.

Molecular Properties

• Compound Name: 2-[(1S,2S)-2-[7-[2-[(2-methylpyrazol-3-yl)amino]pyrimidin-4-yl]-[1,2,4]triazolo[4,3-a]pyridin-3-yl]cyclopropyl]propan-2-ol
• PubChem CID: 122619914
• Molecular Formula: C20H22N8O
• Molecular Weight: 390.45 g/mol
• Exact Mass: 390.19
• IUPAC Name: 2-[(1S,2S)-2-[7-[2-[(2-methylpyrazol-3-yl)amino]pyrimidin-4-yl]-[1,2,4]triazolo[4,3-a]pyridin-3-yl]cyclopropyl]propan-2-ol
• SMILES: Cn1nccc1Nc1nccc(-c2ccn3c([C@H]4C[C@@H]4C(C)(C)O)nnc3c2)n1
• InChI: InChI=1S/C20H22N8O/c1-20(2,29)14-11-13(14)18-26-25-17-10-12(6-9-28(17)18)15-4-7-21-19(23-15)24-16-5-8-22-27(16)3/h4-10,13-14,29H,11H2,1-3H3,(H,21,23,24)/t13-,14-/m0/s1
• InChIKey: DNZDIPMNFXHZFA-KBPBESRZSA-N
• XLogP: 2.54
• TPSA: 106.05 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 9
• Rotatable Bonds: 5
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	390.45
LogP ≤ 5	2.54
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of 2-[(1S,2S)-2-[7-[2-[(2-methylpyrazol-3-yl)amino]pyrimidin-4-yl]-[1,2,4]triazolo[4,3-a]pyridin-3-yl]cyclopropyl]propan-2-ol?

The IUPAC name of 2-[(1S,2S)-2-[7-[2-[(2-methylpyrazol-3-yl)amino]pyrimidin-4-yl]-[1,2,4]triazolo[4,3-a]pyridin-3-yl]cyclopropyl]propan-2-ol (CID 122619914) is 2-[(1S,2S)-2-[7-[2-[(2-methylpyrazol-3-yl)amino]pyrimidin-4-yl]-[1,2,4]triazolo[4,3-a]pyridin-3-yl]cyclopropyl]propan-2-ol.

What is the SMILES notation for 2-[(1S,2S)-2-[7-[2-[(2-methylpyrazol-3-yl)amino]pyrimidin-4-yl]-[1,2,4]triazolo[4,3-a]pyridin-3-yl]cyclopropyl]propan-2-ol?

The canonical SMILES for 2-[(1S,2S)-2-[7-[2-[(2-methylpyrazol-3-yl)amino]pyrimidin-4-yl]-[1,2,4]triazolo[4,3-a]pyridin-3-yl]cyclopropyl]propan-2-ol is Cn1nccc1Nc1nccc(-c2ccn3c([C@H]4C[C@@H]4C(C)(C)O)nnc3c2)n1.

What is the InChIKey of 2-[(1S,2S)-2-[7-[2-[(2-methylpyrazol-3-yl)amino]pyrimidin-4-yl]-[1,2,4]triazolo[4,3-a]pyridin-3-yl]cyclopropyl]propan-2-ol?

The InChIKey is DNZDIPMNFXHZFA-KBPBESRZSA-N. The full InChI is InChI=1S/C20H22N8O/c1-20(2,29)14-11-13(14)18-26-25-17-10-12(6-9-28(17)18)15-4-7-21-19(23-15)24-16-5-8-22-27(16)3/h4-10,13-14,29H,11H2,1-3H3,(H,21,23,24)/t13-,14-/m0/s1.

What are the key properties of 2-[(1S,2S)-2-[7-[2-[(2-methylpyrazol-3-yl)amino]pyrimidin-4-yl]-[1,2,4]triazolo[4,3-a]pyridin-3-yl]cyclopropyl]propan-2-ol?

2-[(1S,2S)-2-[7-[2-[(2-methylpyrazol-3-yl)amino]pyrimidin-4-yl]-[1,2,4]triazolo[4,3-a]pyridin-3-yl]cyclopropyl]propan-2-ol has a molecular weight of 390.45 g/mol, XLogP of 2.54, 5 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[(1S,2S)-2-[7-[2-[(2-methylpyrazol-3-yl)amino]pyrimidin-4-yl]-[1,2,4]triazolo[4,3-a]pyridin-3-yl]cyclopropyl]propan-2-ol is sourced from PubChem (CID 122619914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).