2-chloro-5-fluoro-N-methylpyridin-4-amine;2,4-dichloro-5-fluoropyridine;5-fluoro-2-N-[5-methoxy-6-(3-pyrrolidin-1-ylpropoxy)-2-pyridinyl]-4-N-methylpyridine-2,4-diamine;methanamine;4-methoxy-3-(3-pyrrolidin-1-ylpropoxy)aniline;oxolane

C49H69Cl3F3N11O5 — CID 158483914

About 2-chloro-5-fluoro-N-methylpyridin-4-amine;2,4-dichloro-5-fluoropyridine;5-fluoro-2-N-[5-methoxy-6-(3-pyrrolidin-1-ylpropoxy)-2-pyridinyl]-4-N-methylpyridine-2,4-diamine;methanamine;4-methoxy-3-(3-pyrrolidin-1-ylpropoxy)aniline;oxolane

2-chloro-5-fluoro-N-methylpyridin-4-amine;2,4-dichloro-5-fluoropyridine;5-fluoro-2-N-[5-methoxy-6-(3-pyrrolidin-1-ylpropoxy)-2-pyridinyl]-4-N-methylpyridine-2,4-diamine;methanamine;4-methoxy-3-(3-pyrrolidin-1-ylpropoxy)aniline;oxolane (PubChem CID 158483914) has the molecular formula C49H69Cl3F3N11O5 and a molecular weight of 1055.52 g/mol. Its IUPAC name is 2-chloro-5-fluoro-N-methylpyridin-4-amine;2,4-dichloro-5-fluoropyridine;5-fluoro-2-N-[5-methoxy-6-(3-pyrrolidin-1-ylpropoxy)-2-pyridinyl]-4-N-methylpyridine-2,4-diamine;methanamine;4-methoxy-3-(3-pyrrolidin-1-ylpropoxy)aniline;oxolane.

Molecular Properties

• Compound Name: 2-chloro-5-fluoro-N-methylpyridin-4-amine;2,4-dichloro-5-fluoropyridine;5-fluoro-2-N-[5-methoxy-6-(3-pyrrolidin-1-ylpropoxy)-2-pyridinyl]-4-N-methylpyridine-2,4-diamine;methanamine;4-methoxy-3-(3-pyrrolidin-1-ylpropoxy)aniline;oxolane
• PubChem CID: 158483914
• Molecular Formula: C49H69Cl3F3N11O5
• Molecular Weight: 1055.52 g/mol
• Exact Mass: 1053.45
• IUPAC Name: 2-chloro-5-fluoro-N-methylpyridin-4-amine;2,4-dichloro-5-fluoropyridine;5-fluoro-2-N-[5-methoxy-6-(3-pyrrolidin-1-ylpropoxy)-2-pyridinyl]-4-N-methylpyridine-2,4-diamine;methanamine;4-methoxy-3-(3-pyrrolidin-1-ylpropoxy)aniline;oxolane
• SMILES: C1CCOC1.CN.CNc1cc(Cl)ncc1F.CNc1cc(Nc2ccc(OC)c(OCCCN3CCCC3)n2)ncc1F.COc1ccc(N)cc1OCCCN1CCCC1.Fc1cnc(Cl)cc1Cl
• InChI: InChI=1S/C19H26FN5O2.C14H22N2O2.C6H6ClFN2.C5H2Cl2FN.C4H8O.CH5N/c1-21-15-12-18(22-13-14(15)20)23-17-7-6-16(26-2)19(24-17)27-11-5-10-25-8-3-4-9-25;1-17-13-6-5-12(15)11-14(13)18-10-4-9-16-7-2-3-8-16;1-9-5-2-6(7)10-3-4(5)8;6-3-1-5(7)9-2-4(3)8;1-2-4-5-3-1;1-2/h6-7,12-13H,3-5,8-11H2,1-2H3,(H2,21,22,23,24);5-6,11H,2-4,7-10,15H2,1H3;2-3H,1H3,(H,9,10);1-2H;1-4H2;2H2,1H3
• InChIKey: HHVWGBYSLPSYCB-UHFFFAOYSA-N
• XLogP: 10.23
• TPSA: 192.32 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 16
• Rotatable Bonds: 16
• Heavy Atoms: 71
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1055.52
LogP ≤ 5	10.23
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	16

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-fluoro-N-methylpyridin-4-amine;2,4-dichloro-5-fluoropyridine;5-fluoro-2-N-[5-methoxy-6-(3-pyrrolidin-1-ylpropoxy)-2-pyridinyl]-4-N-methylpyridine-2,4-diamine;methanamine;4-methoxy-3-(3-pyrrolidin-1-ylpropoxy)aniline;oxolane?

The IUPAC name of 2-chloro-5-fluoro-N-methylpyridin-4-amine;2,4-dichloro-5-fluoropyridine;5-fluoro-2-N-[5-methoxy-6-(3-pyrrolidin-1-ylpropoxy)-2-pyridinyl]-4-N-methylpyridine-2,4-diamine;methanamine;4-methoxy-3-(3-pyrrolidin-1-ylpropoxy)aniline;oxolane (CID 158483914) is 2-chloro-5-fluoro-N-methylpyridin-4-amine;2,4-dichloro-5-fluoropyridine;5-fluoro-2-N-[5-methoxy-6-(3-pyrrolidin-1-ylpropoxy)-2-pyridinyl]-4-N-methylpyridine-2,4-diamine;methanamine;4-methoxy-3-(3-pyrrolidin-1-ylpropoxy)aniline;oxolane.

What is the SMILES notation for 2-chloro-5-fluoro-N-methylpyridin-4-amine;2,4-dichloro-5-fluoropyridine;5-fluoro-2-N-[5-methoxy-6-(3-pyrrolidin-1-ylpropoxy)-2-pyridinyl]-4-N-methylpyridine-2,4-diamine;methanamine;4-methoxy-3-(3-pyrrolidin-1-ylpropoxy)aniline;oxolane?

The canonical SMILES for 2-chloro-5-fluoro-N-methylpyridin-4-amine;2,4-dichloro-5-fluoropyridine;5-fluoro-2-N-[5-methoxy-6-(3-pyrrolidin-1-ylpropoxy)-2-pyridinyl]-4-N-methylpyridine-2,4-diamine;methanamine;4-methoxy-3-(3-pyrrolidin-1-ylpropoxy)aniline;oxolane is C1CCOC1.CN.CNc1cc(Cl)ncc1F.CNc1cc(Nc2ccc(OC)c(OCCCN3CCCC3)n2)ncc1F.COc1ccc(N)cc1OCCCN1CCCC1.Fc1cnc(Cl)cc1Cl.

What is the InChIKey of 2-chloro-5-fluoro-N-methylpyridin-4-amine;2,4-dichloro-5-fluoropyridine;5-fluoro-2-N-[5-methoxy-6-(3-pyrrolidin-1-ylpropoxy)-2-pyridinyl]-4-N-methylpyridine-2,4-diamine;methanamine;4-methoxy-3-(3-pyrrolidin-1-ylpropoxy)aniline;oxolane?

The InChIKey is HHVWGBYSLPSYCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26FN5O2.C14H22N2O2.C6H6ClFN2.C5H2Cl2FN.C4H8O.CH5N/c1-21-15-12-18(22-13-14(15)20)23-17-7-6-16(26-2)19(24-17)27-11-5-10-25-8-3-4-9-25;1-17-13-6-5-12(15)11-14(13)18-10-4-9-16-7-2-3-8-16;1-9-5-2-6(7)10-3-4(5)8;6-3-1-5(7)9-2-4(3)8;1-2-4-5-3-1;1-2/h6-7,12-13H,3-5,8-11H2,1-2H3,(H2,21,22,23,24);5-6,11H,2-4,7-10,15H2,1H3;2-3H,1H3,(H,9,10);1-2H;1-4H2;2H2,1H3.

What are the key properties of 2-chloro-5-fluoro-N-methylpyridin-4-amine;2,4-dichloro-5-fluoropyridine;5-fluoro-2-N-[5-methoxy-6-(3-pyrrolidin-1-ylpropoxy)-2-pyridinyl]-4-N-methylpyridine-2,4-diamine;methanamine;4-methoxy-3-(3-pyrrolidin-1-ylpropoxy)aniline;oxolane?

2-chloro-5-fluoro-N-methylpyridin-4-amine;2,4-dichloro-5-fluoropyridine;5-fluoro-2-N-[5-methoxy-6-(3-pyrrolidin-1-ylpropoxy)-2-pyridinyl]-4-N-methylpyridine-2,4-diamine;methanamine;4-methoxy-3-(3-pyrrolidin-1-ylpropoxy)aniline;oxolane has a molecular weight of 1055.52 g/mol, XLogP of 10.23, 16 rotatable bonds, 5 hydrogen bond donors, and 16 hydrogen bond acceptors.

Where does this data come from?

All data for 2-chloro-5-fluoro-N-methylpyridin-4-amine;2,4-dichloro-5-fluoropyridine;5-fluoro-2-N-[5-methoxy-6-(3-pyrrolidin-1-ylpropoxy)-2-pyridinyl]-4-N-methylpyridine-2,4-diamine;methanamine;4-methoxy-3-(3-pyrrolidin-1-ylpropoxy)aniline;oxolane is sourced from PubChem (CID 158483914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).