5-chloro-2-[(2S)-4-cyclobutyl-2-methylpiperazin-1-yl]pyridin-4-amine;(2S)-1-(5-chloro-4-iodo-2-pyridinyl)-4-cyclobutyl-2-methylpiperazine;5-chloro-2-[(2S)-2-methylpiperidin-1-yl]pyridine;(2S)-1-(5-chloro-4-methyl-2-pyridinyl)-4-cyclobutyl-2-methylpiperazine;(2S)-1-(5-chloro-2-pyridinyl)-4-cyclopropyl-2-methylpiperazine

C67H95Cl5IN15 — CID 162230575

IUPAC5-chloro-2-[(2S)-4-cyclobutyl-2-methylpiperazin-1-yl]pyridin-4-amine;(2S)-1-(5-chloro-4-iodo-2-pyridinyl)-4-cyclobutyl-2-methylpiperazine;5-chloro-2-[(2S)-2-methylpiperidin-1-yl]pyridine;(2S)-1-(5-chloro-4-methyl-2-pyridinyl)-4-cyclobutyl-2-methylpiperazine;(2S)-1-(5-chloro-2-pyridinyl)-4-cyclopropyl-2-methylpiperazine
SMILESC[C@H]1CCCCN1c1ccc(Cl)cn1.C[C@H]1CN(C2CC2)CCN1c1ccc(Cl)cn1.C[C@H]1CN(C2CCC2)CCN1c1cc(I)c(Cl)cn1.C[C@H]1CN(C2CCC2)CCN1c1cc(N)c(Cl)cn1.Cc1cc(N2CCN(C3CCC3)C[C@@H]2C)ncc1Cl
InChIInChI=1S/C15H22ClN3.C14H19ClIN3.C14H21ClN4.C13H18ClN3.C11H15ClN2/c1-11-8-15(17-9-14(11)16)19-7-6-18(10-12(19)2)13-4-3-5-13;2*1-10-9-18(11-3-2-4-11)5-6-19(10)14-7-13(16)12(15)8-17-14;1-10-9-16(12-3-4-12)6-7-17(10)13-5-2-11(14)8-15-13;1-9-4-2-3-7-14(9)11-6-5-10(12)8-13-11/h8-9,12-13H,3-7,10H2,1-2H3;7-8,10-11H,2-6,9H2,1H3;7-8,10-11H,2-6,9H2,1H3,(H2,16,17);2,5,8,10,12H,3-4,6-7,9H2,1H3;5-6,8-9H,2-4,7H2,1H3/t12-;3*10-;9-/m00000/s1
InChIKeyZVJDOPWZBDWBOJ-IGKWIVNZSA-N
MW1414.77 g/mol
LogP14.41
Rot. Bonds9

About 5-chloro-2-[(2S)-4-cyclobutyl-2-methylpiperazin-1-yl]pyridin-4-amine;(2S)-1-(5-chloro-4-iodo-2-pyridinyl)-4-cyclobutyl-2-methylpiperazine;5-chloro-2-[(2S)-2-methylpiperidin-1-yl]pyridine;(2S)-1-(5-chloro-4-methyl-2-pyridinyl)-4-cyclobutyl-2-methylpiperazine;(2S)-1-(5-chloro-2-pyridinyl)-4-cyclopropyl-2-methylpiperazine

5-chloro-2-[(2S)-4-cyclobutyl-2-methylpiperazin-1-yl]pyridin-4-amine;(2S)-1-(5-chloro-4-iodo-2-pyridinyl)-4-cyclobutyl-2-methylpiperazine;5-chloro-2-[(2S)-2-methylpiperidin-1-yl]pyridine;(2S)-1-(5-chloro-4-methyl-2-pyridinyl)-4-cyclobutyl-2-methylpiperazine;(2S)-1-(5-chloro-2-pyridinyl)-4-cyclopropyl-2-methylpiperazine (PubChem CID 162230575) has the molecular formula C67H95Cl5IN15 and a molecular weight of 1414.77 g/mol. Its IUPAC name is 5-chloro-2-[(2S)-4-cyclobutyl-2-methylpiperazin-1-yl]pyridin-4-amine;(2S)-1-(5-chloro-4-iodo-2-pyridinyl)-4-cyclobutyl-2-methylpiperazine;5-chloro-2-[(2S)-2-methylpiperidin-1-yl]pyridine;(2S)-1-(5-chloro-4-methyl-2-pyridinyl)-4-cyclobutyl-2-methylpiperazine;(2S)-1-(5-chloro-2-pyridinyl)-4-cyclopropyl-2-methylpiperazine.

Molecular Properties

Compound Name5-chloro-2-[(2S)-4-cyclobutyl-2-methylpiperazin-1-yl]pyridin-4-amine;(2S)-1-(5-chloro-4-iodo-2-pyridinyl)-4-cyclobutyl-2-methylpiperazine;5-chloro-2-[(2S)-2-methylpiperidin-1-yl]pyridine;(2S)-1-(5-chloro-4-methyl-2-pyridinyl)-4-cyclobutyl-2-methylpiperazine;(2S)-1-(5-chloro-2-pyridinyl)-4-cyclopropyl-2-methylpiperazine
PubChem CID162230575
Molecular FormulaC67H95Cl5IN15
Molecular Weight1414.77 g/mol
Exact Mass1411.54
IUPAC Name5-chloro-2-[(2S)-4-cyclobutyl-2-methylpiperazin-1-yl]pyridin-4-amine;(2S)-1-(5-chloro-4-iodo-2-pyridinyl)-4-cyclobutyl-2-methylpiperazine;5-chloro-2-[(2S)-2-methylpiperidin-1-yl]pyridine;(2S)-1-(5-chloro-4-methyl-2-pyridinyl)-4-cyclobutyl-2-methylpiperazine;(2S)-1-(5-chloro-2-pyridinyl)-4-cyclopropyl-2-methylpiperazine
SMILESC[C@H]1CCCCN1c1ccc(Cl)cn1.C[C@H]1CN(C2CC2)CCN1c1ccc(Cl)cn1.C[C@H]1CN(C2CCC2)CCN1c1cc(I)c(Cl)cn1.C[C@H]1CN(C2CCC2)CCN1c1cc(N)c(Cl)cn1.Cc1cc(N2CCN(C3CCC3)C[C@@H]2C)ncc1Cl
InChIInChI=1S/C15H22ClN3.C14H19ClIN3.C14H21ClN4.C13H18ClN3.C11H15ClN2/c1-11-8-15(17-9-14(11)16)19-7-6-18(10-12(19)2)13-4-3-5-13;2*1-10-9-18(11-3-2-4-11)5-6-19(10)14-7-13(16)12(15)8-17-14;1-10-9-16(12-3-4-12)6-7-17(10)13-5-2-11(14)8-15-13;1-9-4-2-3-7-14(9)11-6-5-10(12)8-13-11/h8-9,12-13H,3-7,10H2,1-2H3;7-8,10-11H,2-6,9H2,1H3;7-8,10-11H,2-6,9H2,1H3,(H2,16,17);2,5,8,10,12H,3-4,6-7,9H2,1H3;5-6,8-9H,2-4,7H2,1H3/t12-;3*10-;9-/m00000/s1
InChIKeyZVJDOPWZBDWBOJ-IGKWIVNZSA-N
XLogP14.41
TPSA119.63 Ų
H-Bond Donors1
H-Bond Acceptors15
Rotatable Bonds9
Heavy Atoms88
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001414.77
LogP ≤ 514.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1015

Computed Properties (RDKit)

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

Analyze 5-chloro-2-[(2S)-4-cyclobutyl-2-methylpiperazin-1-yl]pyridin-4-amine;(2S)-1-(5-chloro-4-iodo-2-pyridinyl)-4-cyclobutyl-2-methylpiperazine;5-chloro-2-[(2S)-2-methylpiperidin-1-yl]pyridine;(2S)-1-(5-chloro-4-methyl-2-pyridinyl)-4-cyclobutyl-2-methylpiperazine;(2S)-1-(5-chloro-2-pyridinyl)-4-cyclopropyl-2-methylpiperazine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-[(2S)-4-cyclobutyl-2-methylpiperazin-1-yl]pyridin-4-amine;(2S)-1-(5-chloro-4-iodo-2-pyridinyl)-4-cyclobutyl-2-methylpiperazine;5-chloro-2-[(2S)-2-methylpiperidin-1-yl]pyridine;(2S)-1-(5-chloro-4-methyl-2-pyridinyl)-4-cyclobutyl-2-methylpiperazine;(2S)-1-(5-chloro-2-pyridinyl)-4-cyclopropyl-2-methylpiperazine?
The IUPAC name of 5-chloro-2-[(2S)-4-cyclobutyl-2-methylpiperazin-1-yl]pyridin-4-amine;(2S)-1-(5-chloro-4-iodo-2-pyridinyl)-4-cyclobutyl-2-methylpiperazine;5-chloro-2-[(2S)-2-methylpiperidin-1-yl]pyridine;(2S)-1-(5-chloro-4-methyl-2-pyridinyl)-4-cyclobutyl-2-methylpiperazine;(2S)-1-(5-chloro-2-pyridinyl)-4-cyclopropyl-2-methylpiperazine (CID 162230575) is 5-chloro-2-[(2S)-4-cyclobutyl-2-methylpiperazin-1-yl]pyridin-4-amine;(2S)-1-(5-chloro-4-iodo-2-pyridinyl)-4-cyclobutyl-2-methylpiperazine;5-chloro-2-[(2S)-2-methylpiperidin-1-yl]pyridine;(2S)-1-(5-chloro-4-methyl-2-pyridinyl)-4-cyclobutyl-2-methylpiperazine;(2S)-1-(5-chloro-2-pyridinyl)-4-cyclopropyl-2-methylpiperazine.
What is the SMILES notation for 5-chloro-2-[(2S)-4-cyclobutyl-2-methylpiperazin-1-yl]pyridin-4-amine;(2S)-1-(5-chloro-4-iodo-2-pyridinyl)-4-cyclobutyl-2-methylpiperazine;5-chloro-2-[(2S)-2-methylpiperidin-1-yl]pyridine;(2S)-1-(5-chloro-4-methyl-2-pyridinyl)-4-cyclobutyl-2-methylpiperazine;(2S)-1-(5-chloro-2-pyridinyl)-4-cyclopropyl-2-methylpiperazine?
The canonical SMILES for 5-chloro-2-[(2S)-4-cyclobutyl-2-methylpiperazin-1-yl]pyridin-4-amine;(2S)-1-(5-chloro-4-iodo-2-pyridinyl)-4-cyclobutyl-2-methylpiperazine;5-chloro-2-[(2S)-2-methylpiperidin-1-yl]pyridine;(2S)-1-(5-chloro-4-methyl-2-pyridinyl)-4-cyclobutyl-2-methylpiperazine;(2S)-1-(5-chloro-2-pyridinyl)-4-cyclopropyl-2-methylpiperazine is C[C@H]1CCCCN1c1ccc(Cl)cn1.C[C@H]1CN(C2CC2)CCN1c1ccc(Cl)cn1.C[C@H]1CN(C2CCC2)CCN1c1cc(I)c(Cl)cn1.C[C@H]1CN(C2CCC2)CCN1c1cc(N)c(Cl)cn1.Cc1cc(N2CCN(C3CCC3)C[C@@H]2C)ncc1Cl.
What is the InChIKey of 5-chloro-2-[(2S)-4-cyclobutyl-2-methylpiperazin-1-yl]pyridin-4-amine;(2S)-1-(5-chloro-4-iodo-2-pyridinyl)-4-cyclobutyl-2-methylpiperazine;5-chloro-2-[(2S)-2-methylpiperidin-1-yl]pyridine;(2S)-1-(5-chloro-4-methyl-2-pyridinyl)-4-cyclobutyl-2-methylpiperazine;(2S)-1-(5-chloro-2-pyridinyl)-4-cyclopropyl-2-methylpiperazine?
The InChIKey is ZVJDOPWZBDWBOJ-IGKWIVNZSA-N. The full InChI is InChI=1S/C15H22ClN3.C14H19ClIN3.C14H21ClN4.C13H18ClN3.C11H15ClN2/c1-11-8-15(17-9-14(11)16)19-7-6-18(10-12(19)2)13-4-3-5-13;2*1-10-9-18(11-3-2-4-11)5-6-19(10)14-7-13(16)12(15)8-17-14;1-10-9-16(12-3-4-12)6-7-17(10)13-5-2-11(14)8-15-13;1-9-4-2-3-7-14(9)11-6-5-10(12)8-13-11/h8-9,12-13H,3-7,10H2,1-2H3;7-8,10-11H,2-6,9H2,1H3;7-8,10-11H,2-6,9H2,1H3,(H2,16,17);2,5,8,10,12H,3-4,6-7,9H2,1H3;5-6,8-9H,2-4,7H2,1H3/t12-;3*10-;9-/m00000/s1.
What are the key properties of 5-chloro-2-[(2S)-4-cyclobutyl-2-methylpiperazin-1-yl]pyridin-4-amine;(2S)-1-(5-chloro-4-iodo-2-pyridinyl)-4-cyclobutyl-2-methylpiperazine;5-chloro-2-[(2S)-2-methylpiperidin-1-yl]pyridine;(2S)-1-(5-chloro-4-methyl-2-pyridinyl)-4-cyclobutyl-2-methylpiperazine;(2S)-1-(5-chloro-2-pyridinyl)-4-cyclopropyl-2-methylpiperazine?
5-chloro-2-[(2S)-4-cyclobutyl-2-methylpiperazin-1-yl]pyridin-4-amine;(2S)-1-(5-chloro-4-iodo-2-pyridinyl)-4-cyclobutyl-2-methylpiperazine;5-chloro-2-[(2S)-2-methylpiperidin-1-yl]pyridine;(2S)-1-(5-chloro-4-methyl-2-pyridinyl)-4-cyclobutyl-2-methylpiperazine;(2S)-1-(5-chloro-2-pyridinyl)-4-cyclopropyl-2-methylpiperazine has a molecular weight of 1414.77 g/mol, XLogP of 14.41, 9 rotatable bonds, 1 hydrogen bond donors, and 15 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-[(2S)-4-cyclobutyl-2-methylpiperazin-1-yl]pyridin-4-amine;(2S)-1-(5-chloro-4-iodo-2-pyridinyl)-4-cyclobutyl-2-methylpiperazine;5-chloro-2-[(2S)-2-methylpiperidin-1-yl]pyridine;(2S)-1-(5-chloro-4-methyl-2-pyridinyl)-4-cyclobutyl-2-methylpiperazine;(2S)-1-(5-chloro-2-pyridinyl)-4-cyclopropyl-2-methylpiperazine is sourced from PubChem (CID 162230575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).