2-[6-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-2-[1-(1H-indol-5-yl)ethylamino]pyrimidin-4-yl]propan-2-ol

C23H27N7O — CID 71272621

About 2-[6-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-2-[1-(1H-indol-5-yl)ethylamino]pyrimidin-4-yl]propan-2-ol

2-[6-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-2-[1-(1H-indol-5-yl)ethylamino]pyrimidin-4-yl]propan-2-ol (PubChem CID 71272621) has the molecular formula C23H27N7O and a molecular weight of 417.52 g/mol. Its IUPAC name is 2-[6-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-2-[1-(1H-indol-5-yl)ethylamino]pyrimidin-4-yl]propan-2-ol.

Molecular Properties

• Compound Name: 2-[6-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-2-[1-(1H-indol-5-yl)ethylamino]pyrimidin-4-yl]propan-2-ol
• PubChem CID: 71272621
• Molecular Formula: C23H27N7O
• Molecular Weight: 417.52 g/mol
• Exact Mass: 417.23
• IUPAC Name: 2-[6-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-2-[1-(1H-indol-5-yl)ethylamino]pyrimidin-4-yl]propan-2-ol
• SMILES: CC(Nc1nc(Nc2cc(C3CC3)[nH]n2)cc(C(C)(C)O)n1)c1ccc2[nH]ccc2c1
• InChI: InChI=1S/C23H27N7O/c1-13(15-6-7-17-16(10-15)8-9-24-17)25-22-26-19(23(2,3)31)12-20(28-22)27-21-11-18(29-30-21)14-4-5-14/h6-14,24,31H,4-5H2,1-3H3,(H3,25,26,27,28,29,30)
• InChIKey: DDFJQWWATTXFFO-UHFFFAOYSA-N
• XLogP: 4.70
• TPSA: 114.54 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 6
• Rotatable Bonds: 7
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	417.52
LogP ≤ 5	4.70
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 2-[6-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-2-[1-(1H-indol-5-yl)ethylamino]pyrimidin-4-yl]propan-2-ol?

The IUPAC name of 2-[6-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-2-[1-(1H-indol-5-yl)ethylamino]pyrimidin-4-yl]propan-2-ol (CID 71272621) is 2-[6-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-2-[1-(1H-indol-5-yl)ethylamino]pyrimidin-4-yl]propan-2-ol.

What is the SMILES notation for 2-[6-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-2-[1-(1H-indol-5-yl)ethylamino]pyrimidin-4-yl]propan-2-ol?

The canonical SMILES for 2-[6-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-2-[1-(1H-indol-5-yl)ethylamino]pyrimidin-4-yl]propan-2-ol is CC(Nc1nc(Nc2cc(C3CC3)[nH]n2)cc(C(C)(C)O)n1)c1ccc2[nH]ccc2c1.

What is the InChIKey of 2-[6-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-2-[1-(1H-indol-5-yl)ethylamino]pyrimidin-4-yl]propan-2-ol?

The InChIKey is DDFJQWWATTXFFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N7O/c1-13(15-6-7-17-16(10-15)8-9-24-17)25-22-26-19(23(2,3)31)12-20(28-22)27-21-11-18(29-30-21)14-4-5-14/h6-14,24,31H,4-5H2,1-3H3,(H3,25,26,27,28,29,30).

What are the key properties of 2-[6-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-2-[1-(1H-indol-5-yl)ethylamino]pyrimidin-4-yl]propan-2-ol?

2-[6-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-2-[1-(1H-indol-5-yl)ethylamino]pyrimidin-4-yl]propan-2-ol has a molecular weight of 417.52 g/mol, XLogP of 4.70, 7 rotatable bonds, 5 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[6-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-2-[1-(1H-indol-5-yl)ethylamino]pyrimidin-4-yl]propan-2-ol is sourced from PubChem (CID 71272621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).