3-chloro-6-[(2S)-4-[(1R)-1-cyclopropylethyl]-2-methylpiperazin-1-yl]-2-fluoropyridin-4-amine;3-chloro-6-[(2S)-4-[(1S)-1-cyclopropylethyl]-2-methylpiperazin-1-yl]-2-fluoropyridin-4-amine;(2S)-1-(5-chloro-6-fluoro-4-iodo-2-pyridinyl)-4-(1-cyclopropylethyl)-2-methylpiperazine;(2S)-1-(5-chloro-6-fluoro-4-methyl-2-pyridinyl)-4-(1-cyclopropylethyl)-2-methylpiperazine;(2S)-1-(5-chloro-6-fluoro-2-pyridinyl)-4-(1-cyclopropylethyl)-2-methylpiperazine;(2S)-1-(5-chloro-6-fluoro-2-pyridinyl)-2-methylpiperazine;1-cyclopropylethanone;2,2,2-trifluoroacetaldehyde

C93H130Cl6F9IN20O2 — CID 157355149

About 3-chloro-6-[(2S)-4-[(1R)-1-cyclopropylethyl]-2-methylpiperazin-1-yl]-2-fluoropyridin-4-amine;3-chloro-6-[(2S)-4-[(1S)-1-cyclopropylethyl]-2-methylpiperazin-1-yl]-2-fluoropyridin-4-amine;(2S)-1-(5-chloro-6-fluoro-4-iodo-2-pyridinyl)-4-(1-cyclopropylethyl)-2-methylpiperazine;(2S)-1-(5-chloro-6-fluoro-4-methyl-2-pyridinyl)-4-(1-cyclopropylethyl)-2-methylpiperazine;(2S)-1-(5-chloro-6-fluoro-2-pyridinyl)-4-(1-cyclopropylethyl)-2-methylpiperazine;(2S)-1-(5-chloro-6-fluoro-2-pyridinyl)-2-methylpiperazine;1-cyclopropylethanone;2,2,2-trifluoroacetaldehyde

3-chloro-6-[(2S)-4-[(1R)-1-cyclopropylethyl]-2-methylpiperazin-1-yl]-2-fluoropyridin-4-amine;3-chloro-6-[(2S)-4-[(1S)-1-cyclopropylethyl]-2-methylpiperazin-1-yl]-2-fluoropyridin-4-amine;(2S)-1-(5-chloro-6-fluoro-4-iodo-2-pyridinyl)-4-(1-cyclopropylethyl)-2-methylpiperazine;(2S)-1-(5-chloro-6-fluoro-4-methyl-2-pyridinyl)-4-(1-cyclopropylethyl)-2-methylpiperazine;(2S)-1-(5-chloro-6-fluoro-2-pyridinyl)-4-(1-cyclopropylethyl)-2-methylpiperazine;(2S)-1-(5-chloro-6-fluoro-2-pyridinyl)-2-methylpiperazine;1-cyclopropylethanone;2,2,2-trifluoroacetaldehyde (PubChem CID 157355149) has the molecular formula C93H130Cl6F9IN20O2 and a molecular weight of 2070.80 g/mol. Its IUPAC name is 3-chloro-6-[(2S)-4-[(1R)-1-cyclopropylethyl]-2-methylpiperazin-1-yl]-2-fluoropyridin-4-amine;3-chloro-6-[(2S)-4-[(1S)-1-cyclopropylethyl]-2-methylpiperazin-1-yl]-2-fluoropyridin-4-amine;(2S)-1-(5-chloro-6-fluoro-4-iodo-2-pyridinyl)-4-(1-cyclopropylethyl)-2-methylpiperazine;(2S)-1-(5-chloro-6-fluoro-4-methyl-2-pyridinyl)-4-(1-cyclopropylethyl)-2-methylpiperazine;(2S)-1-(5-chloro-6-fluoro-2-pyridinyl)-4-(1-cyclopropylethyl)-2-methylpiperazine;(2S)-1-(5-chloro-6-fluoro-2-pyridinyl)-2-methylpiperazine;1-cyclopropylethanone;2,2,2-trifluoroacetaldehyde.

Molecular Properties

• Compound Name: 3-chloro-6-[(2S)-4-[(1R)-1-cyclopropylethyl]-2-methylpiperazin-1-yl]-2-fluoropyridin-4-amine;3-chloro-6-[(2S)-4-[(1S)-1-cyclopropylethyl]-2-methylpiperazin-1-yl]-2-fluoropyridin-4-amine;(2S)-1-(5-chloro-6-fluoro-4-iodo-2-pyridinyl)-4-(1-cyclopropylethyl)-2-methylpiperazine;(2S)-1-(5-chloro-6-fluoro-4-methyl-2-pyridinyl)-4-(1-cyclopropylethyl)-2-methylpiperazine;(2S)-1-(5-chloro-6-fluoro-2-pyridinyl)-4-(1-cyclopropylethyl)-2-methylpiperazine;(2S)-1-(5-chloro-6-fluoro-2-pyridinyl)-2-methylpiperazine;1-cyclopropylethanone;2,2,2-trifluoroacetaldehyde
• PubChem CID: 157355149
• Molecular Formula: C93H130Cl6F9IN20O2
• Molecular Weight: 2070.80 g/mol
• Exact Mass: 2066.77
• IUPAC Name: 3-chloro-6-[(2S)-4-[(1R)-1-cyclopropylethyl]-2-methylpiperazin-1-yl]-2-fluoropyridin-4-amine;3-chloro-6-[(2S)-4-[(1S)-1-cyclopropylethyl]-2-methylpiperazin-1-yl]-2-fluoropyridin-4-amine;(2S)-1-(5-chloro-6-fluoro-4-iodo-2-pyridinyl)-4-(1-cyclopropylethyl)-2-methylpiperazine;(2S)-1-(5-chloro-6-fluoro-4-methyl-2-pyridinyl)-4-(1-cyclopropylethyl)-2-methylpiperazine;(2S)-1-(5-chloro-6-fluoro-2-pyridinyl)-4-(1-cyclopropylethyl)-2-methylpiperazine;(2S)-1-(5-chloro-6-fluoro-2-pyridinyl)-2-methylpiperazine;1-cyclopropylethanone;2,2,2-trifluoroacetaldehyde
• SMILES: CC(=O)C1CC1.CC(C1CC1)N1CCN(c2cc(I)c(Cl)c(F)n2)[C@@H](C)C1.CC(C1CC1)N1CCN(c2ccc(Cl)c(F)n2)[C@@H](C)C1.C[C@@H](C1CC1)N1CCN(c2cc(N)c(Cl)c(F)n2)[C@@H](C)C1.C[C@H](C1CC1)N1CCN(c2cc(N)c(Cl)c(F)n2)[C@@H](C)C1.C[C@H]1CNCCN1c1ccc(Cl)c(F)n1.Cc1cc(N2CCN(C(C)C3CC3)C[C@@H]2C)nc(F)c1Cl.O=CC(F)(F)F
• InChI: InChI=1S/C16H23ClFN3.C15H20ClFIN3.2C15H22ClFN4.C15H21ClFN3.C10H13ClFN3.C5H8O.C2HF3O/c1-10-8-14(19-16(18)15(10)17)21-7-6-20(9-11(21)2)12(3)13-4-5-13;3*1-9-8-20(10(2)11-3-4-11)5-6-21(9)13-7-12(18)14(16)15(17)19-13;1-10-9-19(11(2)12-3-4-12)7-8-20(10)14-6-5-13(16)15(17)18-14;1-7-6-13-4-5-15(7)9-3-2-8(11)10(12)14-9;1-4(6)5-2-3-5;3-2(4,5)1-6/h8,11-13H,4-7,9H2,1-3H3;7,9-11H,3-6,8H2,1-2H3;2*7,9-11H,3-6,8H2,1-2H3,(H2,18,19);5-6,10-12H,3-4,7-9H2,1-2H3;2-3,7,13H,4-6H2,1H3;5H,2-3H2,1H3;1H/t11-,12?;9-,10?;9-,10+;9-,10-;10-,11?;7-;;/m000000../s1
• InChIKey: BHZLWBRDUUWEMH-ZEWIXEDCSA-N
• XLogP: 19.40
• TPSA: 211.19 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 22
• Rotatable Bonds: 17
• Heavy Atoms: 131
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2070.80
LogP ≤ 5	19.40
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	22

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 3-chloro-6-[(2S)-4-[(1R)-1-cyclopropylethyl]-2-methylpiperazin-1-yl]-2-fluoropyridin-4-amine;3-chloro-6-[(2S)-4-[(1S)-1-cyclopropylethyl]-2-methylpiperazin-1-yl]-2-fluoropyridin-4-amine;(2S)-1-(5-chloro-6-fluoro-4-iodo-2-pyridinyl)-4-(1-cyclopropylethyl)-2-methylpiperazine;(2S)-1-(5-chloro-6-fluoro-4-methyl-2-pyridinyl)-4-(1-cyclopropylethyl)-2-methylpiperazine;(2S)-1-(5-chloro-6-fluoro-2-pyridinyl)-4-(1-cyclopropylethyl)-2-methylpiperazine;(2S)-1-(5-chloro-6-fluoro-2-pyridinyl)-2-methylpiperazine;1-cyclopropylethanone;2,2,2-trifluoroacetaldehyde?

The IUPAC name of 3-chloro-6-[(2S)-4-[(1R)-1-cyclopropylethyl]-2-methylpiperazin-1-yl]-2-fluoropyridin-4-amine;3-chloro-6-[(2S)-4-[(1S)-1-cyclopropylethyl]-2-methylpiperazin-1-yl]-2-fluoropyridin-4-amine;(2S)-1-(5-chloro-6-fluoro-4-iodo-2-pyridinyl)-4-(1-cyclopropylethyl)-2-methylpiperazine;(2S)-1-(5-chloro-6-fluoro-4-methyl-2-pyridinyl)-4-(1-cyclopropylethyl)-2-methylpiperazine;(2S)-1-(5-chloro-6-fluoro-2-pyridinyl)-4-(1-cyclopropylethyl)-2-methylpiperazine;(2S)-1-(5-chloro-6-fluoro-2-pyridinyl)-2-methylpiperazine;1-cyclopropylethanone;2,2,2-trifluoroacetaldehyde (CID 157355149) is 3-chloro-6-[(2S)-4-[(1R)-1-cyclopropylethyl]-2-methylpiperazin-1-yl]-2-fluoropyridin-4-amine;3-chloro-6-[(2S)-4-[(1S)-1-cyclopropylethyl]-2-methylpiperazin-1-yl]-2-fluoropyridin-4-amine;(2S)-1-(5-chloro-6-fluoro-4-iodo-2-pyridinyl)-4-(1-cyclopropylethyl)-2-methylpiperazine;(2S)-1-(5-chloro-6-fluoro-4-methyl-2-pyridinyl)-4-(1-cyclopropylethyl)-2-methylpiperazine;(2S)-1-(5-chloro-6-fluoro-2-pyridinyl)-4-(1-cyclopropylethyl)-2-methylpiperazine;(2S)-1-(5-chloro-6-fluoro-2-pyridinyl)-2-methylpiperazine;1-cyclopropylethanone;2,2,2-trifluoroacetaldehyde.

What is the SMILES notation for 3-chloro-6-[(2S)-4-[(1R)-1-cyclopropylethyl]-2-methylpiperazin-1-yl]-2-fluoropyridin-4-amine;3-chloro-6-[(2S)-4-[(1S)-1-cyclopropylethyl]-2-methylpiperazin-1-yl]-2-fluoropyridin-4-amine;(2S)-1-(5-chloro-6-fluoro-4-iodo-2-pyridinyl)-4-(1-cyclopropylethyl)-2-methylpiperazine;(2S)-1-(5-chloro-6-fluoro-4-methyl-2-pyridinyl)-4-(1-cyclopropylethyl)-2-methylpiperazine;(2S)-1-(5-chloro-6-fluoro-2-pyridinyl)-4-(1-cyclopropylethyl)-2-methylpiperazine;(2S)-1-(5-chloro-6-fluoro-2-pyridinyl)-2-methylpiperazine;1-cyclopropylethanone;2,2,2-trifluoroacetaldehyde?

The canonical SMILES for 3-chloro-6-[(2S)-4-[(1R)-1-cyclopropylethyl]-2-methylpiperazin-1-yl]-2-fluoropyridin-4-amine;3-chloro-6-[(2S)-4-[(1S)-1-cyclopropylethyl]-2-methylpiperazin-1-yl]-2-fluoropyridin-4-amine;(2S)-1-(5-chloro-6-fluoro-4-iodo-2-pyridinyl)-4-(1-cyclopropylethyl)-2-methylpiperazine;(2S)-1-(5-chloro-6-fluoro-4-methyl-2-pyridinyl)-4-(1-cyclopropylethyl)-2-methylpiperazine;(2S)-1-(5-chloro-6-fluoro-2-pyridinyl)-4-(1-cyclopropylethyl)-2-methylpiperazine;(2S)-1-(5-chloro-6-fluoro-2-pyridinyl)-2-methylpiperazine;1-cyclopropylethanone;2,2,2-trifluoroacetaldehyde is CC(=O)C1CC1.CC(C1CC1)N1CCN(c2cc(I)c(Cl)c(F)n2)[C@@H](C)C1.CC(C1CC1)N1CCN(c2ccc(Cl)c(F)n2)[C@@H](C)C1.C[C@@H](C1CC1)N1CCN(c2cc(N)c(Cl)c(F)n2)[C@@H](C)C1.C[C@H](C1CC1)N1CCN(c2cc(N)c(Cl)c(F)n2)[C@@H](C)C1.C[C@H]1CNCCN1c1ccc(Cl)c(F)n1.Cc1cc(N2CCN(C(C)C3CC3)C[C@@H]2C)nc(F)c1Cl.O=CC(F)(F)F.

What is the InChIKey of 3-chloro-6-[(2S)-4-[(1R)-1-cyclopropylethyl]-2-methylpiperazin-1-yl]-2-fluoropyridin-4-amine;3-chloro-6-[(2S)-4-[(1S)-1-cyclopropylethyl]-2-methylpiperazin-1-yl]-2-fluoropyridin-4-amine;(2S)-1-(5-chloro-6-fluoro-4-iodo-2-pyridinyl)-4-(1-cyclopropylethyl)-2-methylpiperazine;(2S)-1-(5-chloro-6-fluoro-4-methyl-2-pyridinyl)-4-(1-cyclopropylethyl)-2-methylpiperazine;(2S)-1-(5-chloro-6-fluoro-2-pyridinyl)-4-(1-cyclopropylethyl)-2-methylpiperazine;(2S)-1-(5-chloro-6-fluoro-2-pyridinyl)-2-methylpiperazine;1-cyclopropylethanone;2,2,2-trifluoroacetaldehyde?

The InChIKey is BHZLWBRDUUWEMH-ZEWIXEDCSA-N. The full InChI is InChI=1S/C16H23ClFN3.C15H20ClFIN3.2C15H22ClFN4.C15H21ClFN3.C10H13ClFN3.C5H8O.C2HF3O/c1-10-8-14(19-16(18)15(10)17)21-7-6-20(9-11(21)2)12(3)13-4-5-13;3*1-9-8-20(10(2)11-3-4-11)5-6-21(9)13-7-12(18)14(16)15(17)19-13;1-10-9-19(11(2)12-3-4-12)7-8-20(10)14-6-5-13(16)15(17)18-14;1-7-6-13-4-5-15(7)9-3-2-8(11)10(12)14-9;1-4(6)5-2-3-5;3-2(4,5)1-6/h8,11-13H,4-7,9H2,1-3H3;7,9-11H,3-6,8H2,1-2H3;2*7,9-11H,3-6,8H2,1-2H3,(H2,18,19);5-6,10-12H,3-4,7-9H2,1-2H3;2-3,7,13H,4-6H2,1H3;5H,2-3H2,1H3;1H/t11-,12?;9-,10?;9-,10+;9-,10-;10-,11?;7-;;/m000000../s1.

What are the key properties of 3-chloro-6-[(2S)-4-[(1R)-1-cyclopropylethyl]-2-methylpiperazin-1-yl]-2-fluoropyridin-4-amine;3-chloro-6-[(2S)-4-[(1S)-1-cyclopropylethyl]-2-methylpiperazin-1-yl]-2-fluoropyridin-4-amine;(2S)-1-(5-chloro-6-fluoro-4-iodo-2-pyridinyl)-4-(1-cyclopropylethyl)-2-methylpiperazine;(2S)-1-(5-chloro-6-fluoro-4-methyl-2-pyridinyl)-4-(1-cyclopropylethyl)-2-methylpiperazine;(2S)-1-(5-chloro-6-fluoro-2-pyridinyl)-4-(1-cyclopropylethyl)-2-methylpiperazine;(2S)-1-(5-chloro-6-fluoro-2-pyridinyl)-2-methylpiperazine;1-cyclopropylethanone;2,2,2-trifluoroacetaldehyde?

3-chloro-6-[(2S)-4-[(1R)-1-cyclopropylethyl]-2-methylpiperazin-1-yl]-2-fluoropyridin-4-amine;3-chloro-6-[(2S)-4-[(1S)-1-cyclopropylethyl]-2-methylpiperazin-1-yl]-2-fluoropyridin-4-amine;(2S)-1-(5-chloro-6-fluoro-4-iodo-2-pyridinyl)-4-(1-cyclopropylethyl)-2-methylpiperazine;(2S)-1-(5-chloro-6-fluoro-4-methyl-2-pyridinyl)-4-(1-cyclopropylethyl)-2-methylpiperazine;(2S)-1-(5-chloro-6-fluoro-2-pyridinyl)-4-(1-cyclopropylethyl)-2-methylpiperazine;(2S)-1-(5-chloro-6-fluoro-2-pyridinyl)-2-methylpiperazine;1-cyclopropylethanone;2,2,2-trifluoroacetaldehyde has a molecular weight of 2070.80 g/mol, XLogP of 19.40, 17 rotatable bonds, 3 hydrogen bond donors, and 22 hydrogen bond acceptors.

Where does this data come from?

All data for 3-chloro-6-[(2S)-4-[(1R)-1-cyclopropylethyl]-2-methylpiperazin-1-yl]-2-fluoropyridin-4-amine;3-chloro-6-[(2S)-4-[(1S)-1-cyclopropylethyl]-2-methylpiperazin-1-yl]-2-fluoropyridin-4-amine;(2S)-1-(5-chloro-6-fluoro-4-iodo-2-pyridinyl)-4-(1-cyclopropylethyl)-2-methylpiperazine;(2S)-1-(5-chloro-6-fluoro-4-methyl-2-pyridinyl)-4-(1-cyclopropylethyl)-2-methylpiperazine;(2S)-1-(5-chloro-6-fluoro-2-pyridinyl)-4-(1-cyclopropylethyl)-2-methylpiperazine;(2S)-1-(5-chloro-6-fluoro-2-pyridinyl)-2-methylpiperazine;1-cyclopropylethanone;2,2,2-trifluoroacetaldehyde is sourced from PubChem (CID 157355149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).