4-[[2-chloro-5-[5-(2-hydroxypropan-2-yl)-1-methylpyrazol-3-yl]-4-pyridinyl]amino]-1-methylcyclohexan-1-ol

C19H27ClN4O2 — CID 167426004

About 4-[[2-chloro-5-[5-(2-hydroxypropan-2-yl)-1-methylpyrazol-3-yl]-4-pyridinyl]amino]-1-methylcyclohexan-1-ol

4-[[2-chloro-5-[5-(2-hydroxypropan-2-yl)-1-methylpyrazol-3-yl]-4-pyridinyl]amino]-1-methylcyclohexan-1-ol (PubChem CID 167426004) has the molecular formula C19H27ClN4O2 and a molecular weight of 378.90 g/mol. Its IUPAC name is 4-[[2-chloro-5-[5-(2-hydroxypropan-2-yl)-1-methylpyrazol-3-yl]-4-pyridinyl]amino]-1-methylcyclohexan-1-ol.

Molecular Properties

• Compound Name: 4-[[2-chloro-5-[5-(2-hydroxypropan-2-yl)-1-methylpyrazol-3-yl]-4-pyridinyl]amino]-1-methylcyclohexan-1-ol
• PubChem CID: 167426004
• Molecular Formula: C19H27ClN4O2
• Molecular Weight: 378.90 g/mol
• Exact Mass: 378.18
• IUPAC Name: 4-[[2-chloro-5-[5-(2-hydroxypropan-2-yl)-1-methylpyrazol-3-yl]-4-pyridinyl]amino]-1-methylcyclohexan-1-ol
• SMILES: Cn1nc(-c2cnc(Cl)cc2NC2CCC(C)(O)CC2)cc1C(C)(C)O
• InChI: InChI=1S/C19H27ClN4O2/c1-18(2,25)16-9-15(23-24(16)4)13-11-21-17(20)10-14(13)22-12-5-7-19(3,26)8-6-12/h9-12,25-26H,5-8H2,1-4H3,(H,21,22)
• InChIKey: WFGWKSIJQQAQAF-UHFFFAOYSA-N
• XLogP: 3.47
• TPSA: 83.20 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 6
• Rotatable Bonds: 4
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	378.90
LogP ≤ 5	3.47
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 4-[[2-chloro-5-[5-(2-hydroxypropan-2-yl)-1-methylpyrazol-3-yl]-4-pyridinyl]amino]-1-methylcyclohexan-1-ol?

The IUPAC name of 4-[[2-chloro-5-[5-(2-hydroxypropan-2-yl)-1-methylpyrazol-3-yl]-4-pyridinyl]amino]-1-methylcyclohexan-1-ol (CID 167426004) is 4-[[2-chloro-5-[5-(2-hydroxypropan-2-yl)-1-methylpyrazol-3-yl]-4-pyridinyl]amino]-1-methylcyclohexan-1-ol.

What is the SMILES notation for 4-[[2-chloro-5-[5-(2-hydroxypropan-2-yl)-1-methylpyrazol-3-yl]-4-pyridinyl]amino]-1-methylcyclohexan-1-ol?

The canonical SMILES for 4-[[2-chloro-5-[5-(2-hydroxypropan-2-yl)-1-methylpyrazol-3-yl]-4-pyridinyl]amino]-1-methylcyclohexan-1-ol is Cn1nc(-c2cnc(Cl)cc2NC2CCC(C)(O)CC2)cc1C(C)(C)O.

What is the InChIKey of 4-[[2-chloro-5-[5-(2-hydroxypropan-2-yl)-1-methylpyrazol-3-yl]-4-pyridinyl]amino]-1-methylcyclohexan-1-ol?

The InChIKey is WFGWKSIJQQAQAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27ClN4O2/c1-18(2,25)16-9-15(23-24(16)4)13-11-21-17(20)10-14(13)22-12-5-7-19(3,26)8-6-12/h9-12,25-26H,5-8H2,1-4H3,(H,21,22).

What are the key properties of 4-[[2-chloro-5-[5-(2-hydroxypropan-2-yl)-1-methylpyrazol-3-yl]-4-pyridinyl]amino]-1-methylcyclohexan-1-ol?

4-[[2-chloro-5-[5-(2-hydroxypropan-2-yl)-1-methylpyrazol-3-yl]-4-pyridinyl]amino]-1-methylcyclohexan-1-ol has a molecular weight of 378.90 g/mol, XLogP of 3.47, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[[2-chloro-5-[5-(2-hydroxypropan-2-yl)-1-methylpyrazol-3-yl]-4-pyridinyl]amino]-1-methylcyclohexan-1-ol is sourced from PubChem (CID 167426004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).