1-[1-(2-chloro-3-pyridinyl)-3-hydroxypropan-2-yl]-5-[2-[(2-methylpyrazol-3-yl)amino]pyrimidin-4-yl]-2,3-dihydroindole-7-carbonitrile

C25H23ClN8O — CID 130204853

About 1-[1-(2-chloro-3-pyridinyl)-3-hydroxypropan-2-yl]-5-[2-[(2-methylpyrazol-3-yl)amino]pyrimidin-4-yl]-2,3-dihydroindole-7-carbonitrile

1-[1-(2-chloro-3-pyridinyl)-3-hydroxypropan-2-yl]-5-[2-[(2-methylpyrazol-3-yl)amino]pyrimidin-4-yl]-2,3-dihydroindole-7-carbonitrile (PubChem CID 130204853) has the molecular formula C25H23ClN8O and a molecular weight of 486.97 g/mol. Its IUPAC name is 1-[1-(2-chloro-3-pyridinyl)-3-hydroxypropan-2-yl]-5-[2-[(2-methylpyrazol-3-yl)amino]pyrimidin-4-yl]-2,3-dihydroindole-7-carbonitrile.

Molecular Properties

• Compound Name: 1-[1-(2-chloro-3-pyridinyl)-3-hydroxypropan-2-yl]-5-[2-[(2-methylpyrazol-3-yl)amino]pyrimidin-4-yl]-2,3-dihydroindole-7-carbonitrile
• PubChem CID: 130204853
• Molecular Formula: C25H23ClN8O
• Molecular Weight: 486.97 g/mol
• Exact Mass: 486.17
• IUPAC Name: 1-[1-(2-chloro-3-pyridinyl)-3-hydroxypropan-2-yl]-5-[2-[(2-methylpyrazol-3-yl)amino]pyrimidin-4-yl]-2,3-dihydroindole-7-carbonitrile
• SMILES: Cn1nccc1Nc1nccc(-c2cc(C#N)c3c(c2)CCN3C(CO)Cc2cccnc2Cl)n1
• InChI: InChI=1S/C25H23ClN8O/c1-33-22(5-9-30-33)32-25-29-8-4-21(31-25)18-11-16-6-10-34(23(16)19(12-18)14-27)20(15-35)13-17-3-2-7-28-24(17)26/h2-5,7-9,11-12,20,35H,6,10,13,15H2,1H3,(H,29,31,32)
• InChIKey: OLCRUYJLLJRKOF-UHFFFAOYSA-N
• XLogP: 3.51
• TPSA: 115.78 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 9
• Rotatable Bonds: 7
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	486.97
LogP ≤ 5	3.51
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	9

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 1-[1-(2-chloro-3-pyridinyl)-3-hydroxypropan-2-yl]-5-[2-[(2-methylpyrazol-3-yl)amino]pyrimidin-4-yl]-2,3-dihydroindole-7-carbonitrile?

The IUPAC name of 1-[1-(2-chloro-3-pyridinyl)-3-hydroxypropan-2-yl]-5-[2-[(2-methylpyrazol-3-yl)amino]pyrimidin-4-yl]-2,3-dihydroindole-7-carbonitrile (CID 130204853) is 1-[1-(2-chloro-3-pyridinyl)-3-hydroxypropan-2-yl]-5-[2-[(2-methylpyrazol-3-yl)amino]pyrimidin-4-yl]-2,3-dihydroindole-7-carbonitrile.

What is the SMILES notation for 1-[1-(2-chloro-3-pyridinyl)-3-hydroxypropan-2-yl]-5-[2-[(2-methylpyrazol-3-yl)amino]pyrimidin-4-yl]-2,3-dihydroindole-7-carbonitrile?

The canonical SMILES for 1-[1-(2-chloro-3-pyridinyl)-3-hydroxypropan-2-yl]-5-[2-[(2-methylpyrazol-3-yl)amino]pyrimidin-4-yl]-2,3-dihydroindole-7-carbonitrile is Cn1nccc1Nc1nccc(-c2cc(C#N)c3c(c2)CCN3C(CO)Cc2cccnc2Cl)n1.

What is the InChIKey of 1-[1-(2-chloro-3-pyridinyl)-3-hydroxypropan-2-yl]-5-[2-[(2-methylpyrazol-3-yl)amino]pyrimidin-4-yl]-2,3-dihydroindole-7-carbonitrile?

The InChIKey is OLCRUYJLLJRKOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23ClN8O/c1-33-22(5-9-30-33)32-25-29-8-4-21(31-25)18-11-16-6-10-34(23(16)19(12-18)14-27)20(15-35)13-17-3-2-7-28-24(17)26/h2-5,7-9,11-12,20,35H,6,10,13,15H2,1H3,(H,29,31,32).

What are the key properties of 1-[1-(2-chloro-3-pyridinyl)-3-hydroxypropan-2-yl]-5-[2-[(2-methylpyrazol-3-yl)amino]pyrimidin-4-yl]-2,3-dihydroindole-7-carbonitrile?

1-[1-(2-chloro-3-pyridinyl)-3-hydroxypropan-2-yl]-5-[2-[(2-methylpyrazol-3-yl)amino]pyrimidin-4-yl]-2,3-dihydroindole-7-carbonitrile has a molecular weight of 486.97 g/mol, XLogP of 3.51, 7 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[1-(2-chloro-3-pyridinyl)-3-hydroxypropan-2-yl]-5-[2-[(2-methylpyrazol-3-yl)amino]pyrimidin-4-yl]-2,3-dihydroindole-7-carbonitrile is sourced from PubChem (CID 130204853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).