tert-butyl N-[5-chloro-3-fluoro-2-(4-methylpiperazin-1-yl)-4-pyridinyl]carbamate;5-chloro-2,3-difluoropyridine;5-chloro-3-fluoro-2-(4-methylpiperazin-1-yl)pyridin-4-amine;5-chloro-3-fluoro-2-(4-methylpiperazin-1-yl)pyridine-4-carboxylic acid;1-(5-chloro-3-fluoro-2-pyridinyl)-4-methylpiperazine;1-methylpiperazine

C56H76Cl5F6N17O4 — CID 157338651

About tert-butyl N-[5-chloro-3-fluoro-2-(4-methylpiperazin-1-yl)-4-pyridinyl]carbamate;5-chloro-2,3-difluoropyridine;5-chloro-3-fluoro-2-(4-methylpiperazin-1-yl)pyridin-4-amine;5-chloro-3-fluoro-2-(4-methylpiperazin-1-yl)pyridine-4-carboxylic acid;1-(5-chloro-3-fluoro-2-pyridinyl)-4-methylpiperazine;1-methylpiperazine

tert-butyl N-[5-chloro-3-fluoro-2-(4-methylpiperazin-1-yl)-4-pyridinyl]carbamate;5-chloro-2,3-difluoropyridine;5-chloro-3-fluoro-2-(4-methylpiperazin-1-yl)pyridin-4-amine;5-chloro-3-fluoro-2-(4-methylpiperazin-1-yl)pyridine-4-carboxylic acid;1-(5-chloro-3-fluoro-2-pyridinyl)-4-methylpiperazine;1-methylpiperazine (PubChem CID 157338651) has the molecular formula C56H76Cl5F6N17O4 and a molecular weight of 1342.59 g/mol. Its IUPAC name is tert-butyl N-[5-chloro-3-fluoro-2-(4-methylpiperazin-1-yl)-4-pyridinyl]carbamate;5-chloro-2,3-difluoropyridine;5-chloro-3-fluoro-2-(4-methylpiperazin-1-yl)pyridin-4-amine;5-chloro-3-fluoro-2-(4-methylpiperazin-1-yl)pyridine-4-carboxylic acid;1-(5-chloro-3-fluoro-2-pyridinyl)-4-methylpiperazine;1-methylpiperazine.

Molecular Properties

• Compound Name: tert-butyl N-[5-chloro-3-fluoro-2-(4-methylpiperazin-1-yl)-4-pyridinyl]carbamate;5-chloro-2,3-difluoropyridine;5-chloro-3-fluoro-2-(4-methylpiperazin-1-yl)pyridin-4-amine;5-chloro-3-fluoro-2-(4-methylpiperazin-1-yl)pyridine-4-carboxylic acid;1-(5-chloro-3-fluoro-2-pyridinyl)-4-methylpiperazine;1-methylpiperazine
• PubChem CID: 157338651
• Molecular Formula: C56H76Cl5F6N17O4
• Molecular Weight: 1342.59 g/mol
• Exact Mass: 1339.46
• IUPAC Name: tert-butyl N-[5-chloro-3-fluoro-2-(4-methylpiperazin-1-yl)-4-pyridinyl]carbamate;5-chloro-2,3-difluoropyridine;5-chloro-3-fluoro-2-(4-methylpiperazin-1-yl)pyridin-4-amine;5-chloro-3-fluoro-2-(4-methylpiperazin-1-yl)pyridine-4-carboxylic acid;1-(5-chloro-3-fluoro-2-pyridinyl)-4-methylpiperazine;1-methylpiperazine
• SMILES: CN1CCN(c2ncc(Cl)c(C(=O)O)c2F)CC1.CN1CCN(c2ncc(Cl)c(N)c2F)CC1.CN1CCN(c2ncc(Cl)c(NC(=O)OC(C)(C)C)c2F)CC1.CN1CCN(c2ncc(Cl)cc2F)CC1.CN1CCNCC1.Fc1cc(Cl)cnc1F
• InChI: InChI=1S/C15H22ClFN4O2.C11H13ClFN3O2.C10H14ClFN4.C10H13ClFN3.C5H2ClF2N.C5H12N2/c1-15(2,3)23-14(22)19-12-10(16)9-18-13(11(12)17)21-7-5-20(4)6-8-21;1-15-2-4-16(5-3-15)10-9(13)8(11(17)18)7(12)6-14-10;1-15-2-4-16(5-3-15)10-8(12)9(13)7(11)6-14-10;1-14-2-4-15(5-3-14)10-9(12)6-8(11)7-13-10;6-3-1-4(7)5(8)9-2-3;1-7-4-2-6-3-5-7/h9H,5-8H2,1-4H3,(H,18,19,22);6H,2-5H2,1H3,(H,17,18);6H,2-5H2,1H3,(H2,13,14);6-7H,2-5H2,1H3;1-2H;6H,2-5H2,1H3
• InChIKey: BGDFWWOPCVQFTA-UHFFFAOYSA-N
• XLogP: 8.67
• TPSA: 207.29 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 19
• Rotatable Bonds: 6
• Heavy Atoms: 88
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1342.59
LogP ≤ 5	8.67
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	19

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[5-chloro-3-fluoro-2-(4-methylpiperazin-1-yl)-4-pyridinyl]carbamate;5-chloro-2,3-difluoropyridine;5-chloro-3-fluoro-2-(4-methylpiperazin-1-yl)pyridin-4-amine;5-chloro-3-fluoro-2-(4-methylpiperazin-1-yl)pyridine-4-carboxylic acid;1-(5-chloro-3-fluoro-2-pyridinyl)-4-methylpiperazine;1-methylpiperazine?

The IUPAC name of tert-butyl N-[5-chloro-3-fluoro-2-(4-methylpiperazin-1-yl)-4-pyridinyl]carbamate;5-chloro-2,3-difluoropyridine;5-chloro-3-fluoro-2-(4-methylpiperazin-1-yl)pyridin-4-amine;5-chloro-3-fluoro-2-(4-methylpiperazin-1-yl)pyridine-4-carboxylic acid;1-(5-chloro-3-fluoro-2-pyridinyl)-4-methylpiperazine;1-methylpiperazine (CID 157338651) is tert-butyl N-[5-chloro-3-fluoro-2-(4-methylpiperazin-1-yl)-4-pyridinyl]carbamate;5-chloro-2,3-difluoropyridine;5-chloro-3-fluoro-2-(4-methylpiperazin-1-yl)pyridin-4-amine;5-chloro-3-fluoro-2-(4-methylpiperazin-1-yl)pyridine-4-carboxylic acid;1-(5-chloro-3-fluoro-2-pyridinyl)-4-methylpiperazine;1-methylpiperazine.

What is the SMILES notation for tert-butyl N-[5-chloro-3-fluoro-2-(4-methylpiperazin-1-yl)-4-pyridinyl]carbamate;5-chloro-2,3-difluoropyridine;5-chloro-3-fluoro-2-(4-methylpiperazin-1-yl)pyridin-4-amine;5-chloro-3-fluoro-2-(4-methylpiperazin-1-yl)pyridine-4-carboxylic acid;1-(5-chloro-3-fluoro-2-pyridinyl)-4-methylpiperazine;1-methylpiperazine?

The canonical SMILES for tert-butyl N-[5-chloro-3-fluoro-2-(4-methylpiperazin-1-yl)-4-pyridinyl]carbamate;5-chloro-2,3-difluoropyridine;5-chloro-3-fluoro-2-(4-methylpiperazin-1-yl)pyridin-4-amine;5-chloro-3-fluoro-2-(4-methylpiperazin-1-yl)pyridine-4-carboxylic acid;1-(5-chloro-3-fluoro-2-pyridinyl)-4-methylpiperazine;1-methylpiperazine is CN1CCN(c2ncc(Cl)c(C(=O)O)c2F)CC1.CN1CCN(c2ncc(Cl)c(N)c2F)CC1.CN1CCN(c2ncc(Cl)c(NC(=O)OC(C)(C)C)c2F)CC1.CN1CCN(c2ncc(Cl)cc2F)CC1.CN1CCNCC1.Fc1cc(Cl)cnc1F.

What is the InChIKey of tert-butyl N-[5-chloro-3-fluoro-2-(4-methylpiperazin-1-yl)-4-pyridinyl]carbamate;5-chloro-2,3-difluoropyridine;5-chloro-3-fluoro-2-(4-methylpiperazin-1-yl)pyridin-4-amine;5-chloro-3-fluoro-2-(4-methylpiperazin-1-yl)pyridine-4-carboxylic acid;1-(5-chloro-3-fluoro-2-pyridinyl)-4-methylpiperazine;1-methylpiperazine?

The InChIKey is BGDFWWOPCVQFTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22ClFN4O2.C11H13ClFN3O2.C10H14ClFN4.C10H13ClFN3.C5H2ClF2N.C5H12N2/c1-15(2,3)23-14(22)19-12-10(16)9-18-13(11(12)17)21-7-5-20(4)6-8-21;1-15-2-4-16(5-3-15)10-9(13)8(11(17)18)7(12)6-14-10;1-15-2-4-16(5-3-15)10-8(12)9(13)7(11)6-14-10;1-14-2-4-15(5-3-14)10-9(12)6-8(11)7-13-10;6-3-1-4(7)5(8)9-2-3;1-7-4-2-6-3-5-7/h9H,5-8H2,1-4H3,(H,18,19,22);6H,2-5H2,1H3,(H,17,18);6H,2-5H2,1H3,(H2,13,14);6-7H,2-5H2,1H3;1-2H;6H,2-5H2,1H3.

What are the key properties of tert-butyl N-[5-chloro-3-fluoro-2-(4-methylpiperazin-1-yl)-4-pyridinyl]carbamate;5-chloro-2,3-difluoropyridine;5-chloro-3-fluoro-2-(4-methylpiperazin-1-yl)pyridin-4-amine;5-chloro-3-fluoro-2-(4-methylpiperazin-1-yl)pyridine-4-carboxylic acid;1-(5-chloro-3-fluoro-2-pyridinyl)-4-methylpiperazine;1-methylpiperazine?

tert-butyl N-[5-chloro-3-fluoro-2-(4-methylpiperazin-1-yl)-4-pyridinyl]carbamate;5-chloro-2,3-difluoropyridine;5-chloro-3-fluoro-2-(4-methylpiperazin-1-yl)pyridin-4-amine;5-chloro-3-fluoro-2-(4-methylpiperazin-1-yl)pyridine-4-carboxylic acid;1-(5-chloro-3-fluoro-2-pyridinyl)-4-methylpiperazine;1-methylpiperazine has a molecular weight of 1342.59 g/mol, XLogP of 8.67, 6 rotatable bonds, 4 hydrogen bond donors, and 19 hydrogen bond acceptors.

Where does this data come from?

All data for tert-butyl N-[5-chloro-3-fluoro-2-(4-methylpiperazin-1-yl)-4-pyridinyl]carbamate;5-chloro-2,3-difluoropyridine;5-chloro-3-fluoro-2-(4-methylpiperazin-1-yl)pyridin-4-amine;5-chloro-3-fluoro-2-(4-methylpiperazin-1-yl)pyridine-4-carboxylic acid;1-(5-chloro-3-fluoro-2-pyridinyl)-4-methylpiperazine;1-methylpiperazine is sourced from PubChem (CID 157338651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).