N-cyclopropylformamide;N-(1-ethyl-3-fluoropiperidin-4-yl)-5-[1-(4-fluoro-2,5-dimethylphenyl)imidazol-4-yl]pyridin-3-amine

C27H34F2N6O — CID 176570473

About N-cyclopropylformamide;N-(1-ethyl-3-fluoropiperidin-4-yl)-5-[1-(4-fluoro-2,5-dimethylphenyl)imidazol-4-yl]pyridin-3-amine

N-cyclopropylformamide;N-(1-ethyl-3-fluoropiperidin-4-yl)-5-[1-(4-fluoro-2,5-dimethylphenyl)imidazol-4-yl]pyridin-3-amine (PubChem CID 176570473) has the molecular formula C27H34F2N6O and a molecular weight of 496.61 g/mol. Its IUPAC name is N-cyclopropylformamide;N-(1-ethyl-3-fluoropiperidin-4-yl)-5-[1-(4-fluoro-2,5-dimethylphenyl)imidazol-4-yl]pyridin-3-amine.

Molecular Properties

• Compound Name: N-cyclopropylformamide;N-(1-ethyl-3-fluoropiperidin-4-yl)-5-[1-(4-fluoro-2,5-dimethylphenyl)imidazol-4-yl]pyridin-3-amine
• PubChem CID: 176570473
• Molecular Formula: C27H34F2N6O
• Molecular Weight: 496.61 g/mol
• Exact Mass: 496.28
• IUPAC Name: N-cyclopropylformamide;N-(1-ethyl-3-fluoropiperidin-4-yl)-5-[1-(4-fluoro-2,5-dimethylphenyl)imidazol-4-yl]pyridin-3-amine
• SMILES: CCN1CCC(Nc2cncc(-c3cn(-c4cc(C)c(F)cc4C)cn3)c2)C(F)C1.O=CNC1CC1
• InChI: InChI=1S/C23H27F2N5.C4H7NO/c1-4-29-6-5-21(20(25)12-29)28-18-9-17(10-26-11-18)22-13-30(14-27-22)23-8-15(2)19(24)7-16(23)3;6-3-5-4-1-2-4/h7-11,13-14,20-21,28H,4-6,12H2,1-3H3;3-4H,1-2H2,(H,5,6)
• InChIKey: KZVLGZUNCJFMMZ-UHFFFAOYSA-N
• XLogP: 4.43
• TPSA: 75.08 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 7
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	496.61
LogP ≤ 5	4.43
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'aldehyde', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-cyclopropylformamide;N-(1-ethyl-3-fluoropiperidin-4-yl)-5-[1-(4-fluoro-2,5-dimethylphenyl)imidazol-4-yl]pyridin-3-amine?

The IUPAC name of N-cyclopropylformamide;N-(1-ethyl-3-fluoropiperidin-4-yl)-5-[1-(4-fluoro-2,5-dimethylphenyl)imidazol-4-yl]pyridin-3-amine (CID 176570473) is N-cyclopropylformamide;N-(1-ethyl-3-fluoropiperidin-4-yl)-5-[1-(4-fluoro-2,5-dimethylphenyl)imidazol-4-yl]pyridin-3-amine.

What is the SMILES notation for N-cyclopropylformamide;N-(1-ethyl-3-fluoropiperidin-4-yl)-5-[1-(4-fluoro-2,5-dimethylphenyl)imidazol-4-yl]pyridin-3-amine?

The canonical SMILES for N-cyclopropylformamide;N-(1-ethyl-3-fluoropiperidin-4-yl)-5-[1-(4-fluoro-2,5-dimethylphenyl)imidazol-4-yl]pyridin-3-amine is CCN1CCC(Nc2cncc(-c3cn(-c4cc(C)c(F)cc4C)cn3)c2)C(F)C1.O=CNC1CC1.

What is the InChIKey of N-cyclopropylformamide;N-(1-ethyl-3-fluoropiperidin-4-yl)-5-[1-(4-fluoro-2,5-dimethylphenyl)imidazol-4-yl]pyridin-3-amine?

The InChIKey is KZVLGZUNCJFMMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27F2N5.C4H7NO/c1-4-29-6-5-21(20(25)12-29)28-18-9-17(10-26-11-18)22-13-30(14-27-22)23-8-15(2)19(24)7-16(23)3;6-3-5-4-1-2-4/h7-11,13-14,20-21,28H,4-6,12H2,1-3H3;3-4H,1-2H2,(H,5,6).

What are the key properties of N-cyclopropylformamide;N-(1-ethyl-3-fluoropiperidin-4-yl)-5-[1-(4-fluoro-2,5-dimethylphenyl)imidazol-4-yl]pyridin-3-amine?

N-cyclopropylformamide;N-(1-ethyl-3-fluoropiperidin-4-yl)-5-[1-(4-fluoro-2,5-dimethylphenyl)imidazol-4-yl]pyridin-3-amine has a molecular weight of 496.61 g/mol, XLogP of 4.43, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-cyclopropylformamide;N-(1-ethyl-3-fluoropiperidin-4-yl)-5-[1-(4-fluoro-2,5-dimethylphenyl)imidazol-4-yl]pyridin-3-amine is sourced from PubChem (CID 176570473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).