(2S)-1-(5-chloro-6-fluoro-4-iodo-2-pyridinyl)-4-(1-cyclopropylethyl)-2-methylpiperazine;3-chloro-2-fluoro-6-[(2S)-2-methylpiperidin-1-yl]pyridine;(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;1-cyclopropylethanone

C62H86Cl4F4IN11O — CID 161368884

IUPAC(2S)-1-(5-chloro-6-fluoro-4-iodo-2-pyridinyl)-4-(1-cyclopropylethyl)-2-methylpiperazine;3-chloro-2-fluoro-6-[(2S)-2-methylpiperidin-1-yl]pyridine;(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;1-cyclopropylethanone
SMILESCC(=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]1CCCCN1c1ccc(Cl)c(F)n1.Cc1cc(N2CCN(C(C)C3CC3)C[C@@H]2C)nc(F)c1Cl
InChIInChI=1S/C16H23ClFN3.C15H20ClFIN3.C15H21ClFN3.C11H14ClFN2.C5H8O/c1-10-8-14(19-16(18)15(10)17)21-7-6-20(9-11(21)2)12(3)13-4-5-13;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;1-8-4-2-3-7-15(8)10-6-5-9(12)11(13)14-10;1-4(6)5-2-3-5/h8,11-13H,4-7,9H2,1-3H3;7,9-11H,3-6,8H2,1-2H3;5-6,10-12H,3-4,7-9H2,1-2H3;5-6,8H,2-4,7H2,1H3;5H,2-3H2,1H3/t11-,12?;9-,10?;10-,11?;8-;/m0000./s1
InChIKeyVQEXJRIFVCJEHQ-KHPBJNALSA-N
MW1346.15 g/mol
LogP14.70
Rot. Bonds11

About (2S)-1-(5-chloro-6-fluoro-4-iodo-2-pyridinyl)-4-(1-cyclopropylethyl)-2-methylpiperazine;3-chloro-2-fluoro-6-[(2S)-2-methylpiperidin-1-yl]pyridine;(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;1-cyclopropylethanone

(2S)-1-(5-chloro-6-fluoro-4-iodo-2-pyridinyl)-4-(1-cyclopropylethyl)-2-methylpiperazine;3-chloro-2-fluoro-6-[(2S)-2-methylpiperidin-1-yl]pyridine;(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;1-cyclopropylethanone (PubChem CID 161368884) has the molecular formula C62H86Cl4F4IN11O and a molecular weight of 1346.15 g/mol. Its IUPAC name is (2S)-1-(5-chloro-6-fluoro-4-iodo-2-pyridinyl)-4-(1-cyclopropylethyl)-2-methylpiperazine;3-chloro-2-fluoro-6-[(2S)-2-methylpiperidin-1-yl]pyridine;(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;1-cyclopropylethanone.

Molecular Properties

Compound Name(2S)-1-(5-chloro-6-fluoro-4-iodo-2-pyridinyl)-4-(1-cyclopropylethyl)-2-methylpiperazine;3-chloro-2-fluoro-6-[(2S)-2-methylpiperidin-1-yl]pyridine;(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;1-cyclopropylethanone
PubChem CID161368884
Molecular FormulaC62H86Cl4F4IN11O
Molecular Weight1346.15 g/mol
Exact Mass1343.48
IUPAC Name(2S)-1-(5-chloro-6-fluoro-4-iodo-2-pyridinyl)-4-(1-cyclopropylethyl)-2-methylpiperazine;3-chloro-2-fluoro-6-[(2S)-2-methylpiperidin-1-yl]pyridine;(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;1-cyclopropylethanone
SMILESCC(=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]1CCCCN1c1ccc(Cl)c(F)n1.Cc1cc(N2CCN(C(C)C3CC3)C[C@@H]2C)nc(F)c1Cl
InChIInChI=1S/C16H23ClFN3.C15H20ClFIN3.C15H21ClFN3.C11H14ClFN2.C5H8O/c1-10-8-14(19-16(18)15(10)17)21-7-6-20(9-11(21)2)12(3)13-4-5-13;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;1-8-4-2-3-7-15(8)10-6-5-9(12)11(13)14-10;1-4(6)5-2-3-5/h8,11-13H,4-7,9H2,1-3H3;7,9-11H,3-6,8H2,1-2H3;5-6,10-12H,3-4,7-9H2,1-2H3;5-6,8H,2-4,7H2,1H3;5H,2-3H2,1H3/t11-,12?;9-,10?;10-,11?;8-;/m0000./s1
InChIKeyVQEXJRIFVCJEHQ-KHPBJNALSA-N
XLogP14.70
TPSA91.31 Ų
H-Bond Donors
H-Bond Acceptors12
Rotatable Bonds11
Heavy Atoms83
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001346.15
LogP ≤ 514.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1012

Computed Properties (RDKit)

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

Analyze (2S)-1-(5-chloro-6-fluoro-4-iodo-2-pyridinyl)-4-(1-cyclopropylethyl)-2-methylpiperazine;3-chloro-2-fluoro-6-[(2S)-2-methylpiperidin-1-yl]pyridine;(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;1-cyclopropylethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

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
tert-butyl (3S)-4-(5-chloro-6-fluoro-2-pyridinyl)-3-methylpiperazine-1-carboxylate;tert-butyl (3S)-4-(6-fluoro-2-pyridinyl)-3-methylpiperazine-1-carboxylate;tert-butyl (3S)-3-methylpiperazine-1-carboxylate;(2S)-1-(5-chloro-6-fluoro-4-iodo-2-pyridinyl)-2,4-dimethylpiperazine;3-chloro-2-fluoro-6-[(2S)-2-methylpiperidin-1-yl]pyridine;(2S)-1-(5-chloro-6-fluoro-2-pyridinyl)-2,4-dimethylpiperazine;2,6-difluoropyridine;methane;(2S)-2-methylpiperazine
CID 160191978

Frequently Asked Questions

What is the IUPAC name of (2S)-1-(5-chloro-6-fluoro-4-iodo-2-pyridinyl)-4-(1-cyclopropylethyl)-2-methylpiperazine;3-chloro-2-fluoro-6-[(2S)-2-methylpiperidin-1-yl]pyridine;(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;1-cyclopropylethanone?
The IUPAC name of (2S)-1-(5-chloro-6-fluoro-4-iodo-2-pyridinyl)-4-(1-cyclopropylethyl)-2-methylpiperazine;3-chloro-2-fluoro-6-[(2S)-2-methylpiperidin-1-yl]pyridine;(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;1-cyclopropylethanone (CID 161368884) is (2S)-1-(5-chloro-6-fluoro-4-iodo-2-pyridinyl)-4-(1-cyclopropylethyl)-2-methylpiperazine;3-chloro-2-fluoro-6-[(2S)-2-methylpiperidin-1-yl]pyridine;(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;1-cyclopropylethanone.
What is the SMILES notation for (2S)-1-(5-chloro-6-fluoro-4-iodo-2-pyridinyl)-4-(1-cyclopropylethyl)-2-methylpiperazine;3-chloro-2-fluoro-6-[(2S)-2-methylpiperidin-1-yl]pyridine;(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;1-cyclopropylethanone?
The canonical SMILES for (2S)-1-(5-chloro-6-fluoro-4-iodo-2-pyridinyl)-4-(1-cyclopropylethyl)-2-methylpiperazine;3-chloro-2-fluoro-6-[(2S)-2-methylpiperidin-1-yl]pyridine;(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;1-cyclopropylethanone 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]1CCCCN1c1ccc(Cl)c(F)n1.Cc1cc(N2CCN(C(C)C3CC3)C[C@@H]2C)nc(F)c1Cl.
What is the InChIKey of (2S)-1-(5-chloro-6-fluoro-4-iodo-2-pyridinyl)-4-(1-cyclopropylethyl)-2-methylpiperazine;3-chloro-2-fluoro-6-[(2S)-2-methylpiperidin-1-yl]pyridine;(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;1-cyclopropylethanone?
The InChIKey is VQEXJRIFVCJEHQ-KHPBJNALSA-N. The full InChI is InChI=1S/C16H23ClFN3.C15H20ClFIN3.C15H21ClFN3.C11H14ClFN2.C5H8O/c1-10-8-14(19-16(18)15(10)17)21-7-6-20(9-11(21)2)12(3)13-4-5-13;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;1-8-4-2-3-7-15(8)10-6-5-9(12)11(13)14-10;1-4(6)5-2-3-5/h8,11-13H,4-7,9H2,1-3H3;7,9-11H,3-6,8H2,1-2H3;5-6,10-12H,3-4,7-9H2,1-2H3;5-6,8H,2-4,7H2,1H3;5H,2-3H2,1H3/t11-,12?;9-,10?;10-,11?;8-;/m0000./s1.
What are the key properties of (2S)-1-(5-chloro-6-fluoro-4-iodo-2-pyridinyl)-4-(1-cyclopropylethyl)-2-methylpiperazine;3-chloro-2-fluoro-6-[(2S)-2-methylpiperidin-1-yl]pyridine;(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;1-cyclopropylethanone?
(2S)-1-(5-chloro-6-fluoro-4-iodo-2-pyridinyl)-4-(1-cyclopropylethyl)-2-methylpiperazine;3-chloro-2-fluoro-6-[(2S)-2-methylpiperidin-1-yl]pyridine;(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;1-cyclopropylethanone has a molecular weight of 1346.15 g/mol, XLogP of 14.70, 11 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-(5-chloro-6-fluoro-4-iodo-2-pyridinyl)-4-(1-cyclopropylethyl)-2-methylpiperazine;3-chloro-2-fluoro-6-[(2S)-2-methylpiperidin-1-yl]pyridine;(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;1-cyclopropylethanone is sourced from PubChem (CID 161368884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).