4-(5,5-dimethyl-4,6-dihydro-1H-cyclopenta[d]pyrazol-3-yl)-6-fluoro-N-methylpyridin-2-amine;N-methylcyclohexanecarboxamide

C22H32FN5O — CID 144999664

About 4-(5,5-dimethyl-4,6-dihydro-1H-cyclopenta[d]pyrazol-3-yl)-6-fluoro-N-methylpyridin-2-amine;N-methylcyclohexanecarboxamide

4-(5,5-dimethyl-4,6-dihydro-1H-cyclopenta[d]pyrazol-3-yl)-6-fluoro-N-methylpyridin-2-amine;N-methylcyclohexanecarboxamide (PubChem CID 144999664) has the molecular formula C22H32FN5O and a molecular weight of 401.53 g/mol. Its IUPAC name is 4-(5,5-dimethyl-4,6-dihydro-1H-cyclopenta[d]pyrazol-3-yl)-6-fluoro-N-methylpyridin-2-amine;N-methylcyclohexanecarboxamide.

Molecular Properties

• Compound Name: 4-(5,5-dimethyl-4,6-dihydro-1H-cyclopenta[d]pyrazol-3-yl)-6-fluoro-N-methylpyridin-2-amine;N-methylcyclohexanecarboxamide
• PubChem CID: 144999664
• Molecular Formula: C22H32FN5O
• Molecular Weight: 401.53 g/mol
• Exact Mass: 401.26
• IUPAC Name: 4-(5,5-dimethyl-4,6-dihydro-1H-cyclopenta[d]pyrazol-3-yl)-6-fluoro-N-methylpyridin-2-amine;N-methylcyclohexanecarboxamide
• SMILES: CNC(=O)C1CCCCC1.CNc1cc(-c2n[nH]c3c2CC(C)(C)C3)cc(F)n1
• InChI: InChI=1S/C14H17FN4.C8H15NO/c1-14(2)6-9-10(7-14)18-19-13(9)8-4-11(15)17-12(5-8)16-3;1-9-8(10)7-5-3-2-4-6-7/h4-5H,6-7H2,1-3H3,(H,16,17)(H,18,19);7H,2-6H2,1H3,(H,9,10)
• InChIKey: RKTRLCLFCHDWQX-UHFFFAOYSA-N
• XLogP: 4.09
• TPSA: 82.70 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 4
• Rotatable Bonds: 3
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	401.53
LogP ≤ 5	4.09
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 4-(5,5-dimethyl-4,6-dihydro-1H-cyclopenta[d]pyrazol-3-yl)-6-fluoro-N-methylpyridin-2-amine;N-methylcyclohexanecarboxamide?

The IUPAC name of 4-(5,5-dimethyl-4,6-dihydro-1H-cyclopenta[d]pyrazol-3-yl)-6-fluoro-N-methylpyridin-2-amine;N-methylcyclohexanecarboxamide (CID 144999664) is 4-(5,5-dimethyl-4,6-dihydro-1H-cyclopenta[d]pyrazol-3-yl)-6-fluoro-N-methylpyridin-2-amine;N-methylcyclohexanecarboxamide.

What is the SMILES notation for 4-(5,5-dimethyl-4,6-dihydro-1H-cyclopenta[d]pyrazol-3-yl)-6-fluoro-N-methylpyridin-2-amine;N-methylcyclohexanecarboxamide?

The canonical SMILES for 4-(5,5-dimethyl-4,6-dihydro-1H-cyclopenta[d]pyrazol-3-yl)-6-fluoro-N-methylpyridin-2-amine;N-methylcyclohexanecarboxamide is CNC(=O)C1CCCCC1.CNc1cc(-c2n[nH]c3c2CC(C)(C)C3)cc(F)n1.

What is the InChIKey of 4-(5,5-dimethyl-4,6-dihydro-1H-cyclopenta[d]pyrazol-3-yl)-6-fluoro-N-methylpyridin-2-amine;N-methylcyclohexanecarboxamide?

The InChIKey is RKTRLCLFCHDWQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17FN4.C8H15NO/c1-14(2)6-9-10(7-14)18-19-13(9)8-4-11(15)17-12(5-8)16-3;1-9-8(10)7-5-3-2-4-6-7/h4-5H,6-7H2,1-3H3,(H,16,17)(H,18,19);7H,2-6H2,1H3,(H,9,10).

What are the key properties of 4-(5,5-dimethyl-4,6-dihydro-1H-cyclopenta[d]pyrazol-3-yl)-6-fluoro-N-methylpyridin-2-amine;N-methylcyclohexanecarboxamide?

4-(5,5-dimethyl-4,6-dihydro-1H-cyclopenta[d]pyrazol-3-yl)-6-fluoro-N-methylpyridin-2-amine;N-methylcyclohexanecarboxamide has a molecular weight of 401.53 g/mol, XLogP of 4.09, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 4-(5,5-dimethyl-4,6-dihydro-1H-cyclopenta[d]pyrazol-3-yl)-6-fluoro-N-methylpyridin-2-amine;N-methylcyclohexanecarboxamide is sourced from PubChem (CID 144999664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).