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

C18H20N8O — CID 118216904

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

(1R)-2-methyl-1-[7-[2-[(2-methylpyrazol-3-yl)amino]pyrimidin-4-yl]-[1,2,4]triazolo[4,3-a]pyridin-3-yl]propan-1-ol (PubChem CID 118216904) has the molecular formula C18H20N8O and a molecular weight of 364.41 g/mol. Its IUPAC name is (1R)-2-methyl-1-[7-[2-[(2-methylpyrazol-3-yl)amino]pyrimidin-4-yl]-[1,2,4]triazolo[4,3-a]pyridin-3-yl]propan-1-ol.

Molecular Properties

• Compound Name: (1R)-2-methyl-1-[7-[2-[(2-methylpyrazol-3-yl)amino]pyrimidin-4-yl]-[1,2,4]triazolo[4,3-a]pyridin-3-yl]propan-1-ol
• PubChem CID: 118216904
• Molecular Formula: C18H20N8O
• Molecular Weight: 364.41 g/mol
• Exact Mass: 364.18
• IUPAC Name: (1R)-2-methyl-1-[7-[2-[(2-methylpyrazol-3-yl)amino]pyrimidin-4-yl]-[1,2,4]triazolo[4,3-a]pyridin-3-yl]propan-1-ol
• SMILES: CC(C)[C@@H](O)c1nnc2cc(-c3ccnc(Nc4ccnn4C)n3)ccn12
• InChI: InChI=1S/C18H20N8O/c1-11(2)16(27)17-24-23-15-10-12(6-9-26(15)17)13-4-7-19-18(21-13)22-14-5-8-20-25(14)3/h4-11,16,27H,1-3H3,(H,19,21,22)/t16-/m1/s1
• InChIKey: PCHUEGKOMSGREH-MRXNPFEDSA-N
• XLogP: 2.35
• TPSA: 106.05 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 9
• Rotatable Bonds: 5
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	364.41
LogP ≤ 5	2.35
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

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

The IUPAC name of (1R)-2-methyl-1-[7-[2-[(2-methylpyrazol-3-yl)amino]pyrimidin-4-yl]-[1,2,4]triazolo[4,3-a]pyridin-3-yl]propan-1-ol (CID 118216904) is (1R)-2-methyl-1-[7-[2-[(2-methylpyrazol-3-yl)amino]pyrimidin-4-yl]-[1,2,4]triazolo[4,3-a]pyridin-3-yl]propan-1-ol.

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

The canonical SMILES for (1R)-2-methyl-1-[7-[2-[(2-methylpyrazol-3-yl)amino]pyrimidin-4-yl]-[1,2,4]triazolo[4,3-a]pyridin-3-yl]propan-1-ol is CC(C)[C@@H](O)c1nnc2cc(-c3ccnc(Nc4ccnn4C)n3)ccn12.

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

The InChIKey is PCHUEGKOMSGREH-MRXNPFEDSA-N. The full InChI is InChI=1S/C18H20N8O/c1-11(2)16(27)17-24-23-15-10-12(6-9-26(15)17)13-4-7-19-18(21-13)22-14-5-8-20-25(14)3/h4-11,16,27H,1-3H3,(H,19,21,22)/t16-/m1/s1.

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

(1R)-2-methyl-1-[7-[2-[(2-methylpyrazol-3-yl)amino]pyrimidin-4-yl]-[1,2,4]triazolo[4,3-a]pyridin-3-yl]propan-1-ol has a molecular weight of 364.41 g/mol, XLogP of 2.35, 5 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for (1R)-2-methyl-1-[7-[2-[(2-methylpyrazol-3-yl)amino]pyrimidin-4-yl]-[1,2,4]triazolo[4,3-a]pyridin-3-yl]propan-1-ol is sourced from PubChem (CID 118216904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).