2-[6-[2-fluoro-4-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]-3-pyridinyl]-N-[(2-methylpyrimidin-4-yl)methyl]acetamide;2-[6-[2-fluoro-4-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]-3-pyridinyl]-N-[(4-methylpyrimidin-2-yl)methyl]acetamide;2-[6-[2-fluoro-4-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]-3-pyridinyl]-N-(pyridin-2-ylmethyl)acetamide;2-[6-[2-fluoro-4-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]-3-pyridinyl]-N-(pyrimidin-2-ylmethyl)acetamide;2-[4-[2-fluoro-6-[2-(4-methylpiperazin-1-yl)ethoxy]-3-pyridinyl]phenyl]-N-[(2-methylpyrimidin-4-yl)methyl]acetamide;2-[4-[2-fluoro-6-[2-(4-methylpiperazin-1-yl)ethoxy]-3-pyridinyl]phenyl]-N-[(4-methylpyrimidin-2-yl)methyl]acetamide;2-[4-[2-fluoro-6-[2-(4-methylpiperazin-1-yl)ethoxy]-3-pyridinyl]phenyl]-N-(pyridin-2-ylmethyl)acetamide

C181H213F7N40O14 — CID 158648249

IUPAC2-[6-[2-fluoro-4-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]-3-pyridinyl]-N-[(2-methylpyrimidin-4-yl)methyl]acetamide;2-[6-[2-fluoro-4-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]-3-pyridinyl]-N-[(4-methylpyrimidin-2-yl)methyl]acetamide;2-[6-[2-fluoro-4-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]-3-pyridinyl]-N-(pyridin-2-ylmethyl)acetamide;2-[6-[2-fluoro-4-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]-3-pyridinyl]-N-(pyrimidin-2-ylmethyl)acetamide;2-[4-[2-fluoro-6-[2-(4-methylpiperazin-1-yl)ethoxy]-3-pyridinyl]phenyl]-N-[(2-methylpyrimidin-4-yl)methyl]acetamide;2-[4-[2-fluoro-6-[2-(4-methylpiperazin-1-yl)ethoxy]-3-pyridinyl]phenyl]-N-[(4-methylpyrimidin-2-yl)methyl]acetamide;2-[4-[2-fluoro-6-[2-(4-methylpiperazin-1-yl)ethoxy]-3-pyridinyl]phenyl]-N-(pyridin-2-ylmethyl)acetamide
SMILESCN1CCN(CCOc2ccc(-c3ccc(CC(=O)NCc4ccccn4)cc3)c(F)n2)CC1.CN1CCN(CCOc2ccc(-c3ccc(CC(=O)NCc4ccccn4)cn3)c(F)c2)CC1.CN1CCN(CCOc2ccc(-c3ccc(CC(=O)NCc4ncccn4)cn3)c(F)c2)CC1.Cc1ccnc(CNC(=O)Cc2ccc(-c3ccc(OCCN4CCN(C)CC4)cc3F)nc2)n1.Cc1ccnc(CNC(=O)Cc2ccc(-c3ccc(OCCN4CCN(C)CC4)nc3F)cc2)n1.Cc1nccc(CNC(=O)Cc2ccc(-c3ccc(OCCN4CCN(C)CC4)cc3F)nc2)n1.Cc1nccc(CNC(=O)Cc2ccc(-c3ccc(OCCN4CCN(C)CC4)nc3F)cc2)n1
InChIInChI=1S/4C26H31FN6O2.2C26H30FN5O2.C25H29FN6O2/c1-19-28-8-7-21(31-19)18-30-26(34)15-20-3-6-25(29-17-20)23-5-4-22(16-24(23)27)35-14-13-33-11-9-32(2)10-12-33;1-19-7-8-28-25(31-19)18-30-26(34)15-20-3-6-24(29-17-20)22-5-4-21(16-23(22)27)35-14-13-33-11-9-32(2)10-12-33;1-19-28-10-9-22(30-19)18-29-24(34)17-20-3-5-21(6-4-20)23-7-8-25(31-26(23)27)35-16-15-33-13-11-32(2)12-14-33;1-19-9-10-28-23(30-19)18-29-24(34)17-20-3-5-21(6-4-20)22-7-8-25(31-26(22)27)35-16-15-33-13-11-32(2)12-14-33;1-31-10-12-32(13-11-31)14-15-34-22-6-7-23(24(27)17-22)25-8-5-20(18-29-25)16-26(33)30-19-21-4-2-3-9-28-21;1-31-12-14-32(15-13-31)16-17-34-25-10-9-23(26(27)30-25)21-7-5-20(6-8-21)18-24(33)29-19-22-4-2-3-11-28-22;1-31-9-11-32(12-10-31)13-14-34-20-4-5-21(22(26)16-20)23-6-3-19(17-29-23)15-25(33)30-18-24-27-7-2-8-28-24/h2*3-8,16-17H,9-15,18H2,1-2H3,(H,30,34);2*3-10H,11-18H2,1-2H3,(H,29,34);2-9,17-18H,10-16,19H2,1H3,(H,30,33);2-11H,12-19H2,1H3,(H,29,33);2-8,16-17H,9-15,18H2,1H3,(H,30,33)
InChIKeyIBFRQKPFBLPVHK-UHFFFAOYSA-N
MW3305.95 g/mol
LogP17.58
Rot. Bonds63

About 2-[6-[2-fluoro-4-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]-3-pyridinyl]-N-[(2-methylpyrimidin-4-yl)methyl]acetamide;2-[6-[2-fluoro-4-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]-3-pyridinyl]-N-[(4-methylpyrimidin-2-yl)methyl]acetamide;2-[6-[2-fluoro-4-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]-3-pyridinyl]-N-(pyridin-2-ylmethyl)acetamide;2-[6-[2-fluoro-4-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]-3-pyridinyl]-N-(pyrimidin-2-ylmethyl)acetamide;2-[4-[2-fluoro-6-[2-(4-methylpiperazin-1-yl)ethoxy]-3-pyridinyl]phenyl]-N-[(2-methylpyrimidin-4-yl)methyl]acetamide;2-[4-[2-fluoro-6-[2-(4-methylpiperazin-1-yl)ethoxy]-3-pyridinyl]phenyl]-N-[(4-methylpyrimidin-2-yl)methyl]acetamide;2-[4-[2-fluoro-6-[2-(4-methylpiperazin-1-yl)ethoxy]-3-pyridinyl]phenyl]-N-(pyridin-2-ylmethyl)acetamide

2-[6-[2-fluoro-4-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]-3-pyridinyl]-N-[(2-methylpyrimidin-4-yl)methyl]acetamide;2-[6-[2-fluoro-4-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]-3-pyridinyl]-N-[(4-methylpyrimidin-2-yl)methyl]acetamide;2-[6-[2-fluoro-4-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]-3-pyridinyl]-N-(pyridin-2-ylmethyl)acetamide;2-[6-[2-fluoro-4-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]-3-pyridinyl]-N-(pyrimidin-2-ylmethyl)acetamide;2-[4-[2-fluoro-6-[2-(4-methylpiperazin-1-yl)ethoxy]-3-pyridinyl]phenyl]-N-[(2-methylpyrimidin-4-yl)methyl]acetamide;2-[4-[2-fluoro-6-[2-(4-methylpiperazin-1-yl)ethoxy]-3-pyridinyl]phenyl]-N-[(4-methylpyrimidin-2-yl)methyl]acetamide;2-[4-[2-fluoro-6-[2-(4-methylpiperazin-1-yl)ethoxy]-3-pyridinyl]phenyl]-N-(pyridin-2-ylmethyl)acetamide (PubChem CID 158648249) has the molecular formula C181H213F7N40O14 and a molecular weight of 3305.95 g/mol. Its IUPAC name is 2-[6-[2-fluoro-4-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]-3-pyridinyl]-N-[(2-methylpyrimidin-4-yl)methyl]acetamide;2-[6-[2-fluoro-4-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]-3-pyridinyl]-N-[(4-methylpyrimidin-2-yl)methyl]acetamide;2-[6-[2-fluoro-4-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]-3-pyridinyl]-N-(pyridin-2-ylmethyl)acetamide;2-[6-[2-fluoro-4-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]-3-pyridinyl]-N-(pyrimidin-2-ylmethyl)acetamide;2-[4-[2-fluoro-6-[2-(4-methylpiperazin-1-yl)ethoxy]-3-pyridinyl]phenyl]-N-[(2-methylpyrimidin-4-yl)methyl]acetamide;2-[4-[2-fluoro-6-[2-(4-methylpiperazin-1-yl)ethoxy]-3-pyridinyl]phenyl]-N-[(4-methylpyrimidin-2-yl)methyl]acetamide;2-[4-[2-fluoro-6-[2-(4-methylpiperazin-1-yl)ethoxy]-3-pyridinyl]phenyl]-N-(pyridin-2-ylmethyl)acetamide.

Molecular Properties

Compound Name2-[6-[2-fluoro-4-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]-3-pyridinyl]-N-[(2-methylpyrimidin-4-yl)methyl]acetamide;2-[6-[2-fluoro-4-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]-3-pyridinyl]-N-[(4-methylpyrimidin-2-yl)methyl]acetamide;2-[6-[2-fluoro-4-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]-3-pyridinyl]-N-(pyridin-2-ylmethyl)acetamide;2-[6-[2-fluoro-4-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]-3-pyridinyl]-N-(pyrimidin-2-ylmethyl)acetamide;2-[4-[2-fluoro-6-[2-(4-methylpiperazin-1-yl)ethoxy]-3-pyridinyl]phenyl]-N-[(2-methylpyrimidin-4-yl)methyl]acetamide;2-[4-[2-fluoro-6-[2-(4-methylpiperazin-1-yl)ethoxy]-3-pyridinyl]phenyl]-N-[(4-methylpyrimidin-2-yl)methyl]acetamide;2-[4-[2-fluoro-6-[2-(4-methylpiperazin-1-yl)ethoxy]-3-pyridinyl]phenyl]-N-(pyridin-2-ylmethyl)acetamide
PubChem CID158648249
Molecular FormulaC181H213F7N40O14
Molecular Weight3305.95 g/mol
Exact Mass3303.71
IUPAC Name2-[6-[2-fluoro-4-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]-3-pyridinyl]-N-[(2-methylpyrimidin-4-yl)methyl]acetamide;2-[6-[2-fluoro-4-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]-3-pyridinyl]-N-[(4-methylpyrimidin-2-yl)methyl]acetamide;2-[6-[2-fluoro-4-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]-3-pyridinyl]-N-(pyridin-2-ylmethyl)acetamide;2-[6-[2-fluoro-4-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]-3-pyridinyl]-N-(pyrimidin-2-ylmethyl)acetamide;2-[4-[2-fluoro-6-[2-(4-methylpiperazin-1-yl)ethoxy]-3-pyridinyl]phenyl]-N-[(2-methylpyrimidin-4-yl)methyl]acetamide;2-[4-[2-fluoro-6-[2-(4-methylpiperazin-1-yl)ethoxy]-3-pyridinyl]phenyl]-N-[(4-methylpyrimidin-2-yl)methyl]acetamide;2-[4-[2-fluoro-6-[2-(4-methylpiperazin-1-yl)ethoxy]-3-pyridinyl]phenyl]-N-(pyridin-2-ylmethyl)acetamide
SMILESCN1CCN(CCOc2ccc(-c3ccc(CC(=O)NCc4ccccn4)cc3)c(F)n2)CC1.CN1CCN(CCOc2ccc(-c3ccc(CC(=O)NCc4ccccn4)cn3)c(F)c2)CC1.CN1CCN(CCOc2ccc(-c3ccc(CC(=O)NCc4ncccn4)cn3)c(F)c2)CC1.Cc1ccnc(CNC(=O)Cc2ccc(-c3ccc(OCCN4CCN(C)CC4)cc3F)nc2)n1.Cc1ccnc(CNC(=O)Cc2ccc(-c3ccc(OCCN4CCN(C)CC4)nc3F)cc2)n1.Cc1nccc(CNC(=O)Cc2ccc(-c3ccc(OCCN4CCN(C)CC4)cc3F)nc2)n1.Cc1nccc(CNC(=O)Cc2ccc(-c3ccc(OCCN4CCN(C)CC4)nc3F)cc2)n1
InChIInChI=1S/4C26H31FN6O2.2C26H30FN5O2.C25H29FN6O2/c1-19-28-8-7-21(31-19)18-30-26(34)15-20-3-6-25(29-17-20)23-5-4-22(16-24(23)27)35-14-13-33-11-9-32(2)10-12-33;1-19-7-8-28-25(31-19)18-30-26(34)15-20-3-6-24(29-17-20)22-5-4-21(16-23(22)27)35-14-13-33-11-9-32(2)10-12-33;1-19-28-10-9-22(30-19)18-29-24(34)17-20-3-5-21(6-4-20)23-7-8-25(31-26(23)27)35-16-15-33-13-11-32(2)12-14-33;1-19-9-10-28-23(30-19)18-29-24(34)17-20-3-5-21(6-4-20)22-7-8-25(31-26(22)27)35-16-15-33-13-11-32(2)12-14-33;1-31-10-12-32(13-11-31)14-15-34-22-6-7-23(24(27)17-22)25-8-5-20(18-29-25)16-26(33)30-19-21-4-2-3-9-28-21;1-31-12-14-32(15-13-31)16-17-34-25-10-9-23(26(27)30-25)21-7-5-20(6-8-21)18-24(33)29-19-22-4-2-3-11-28-22;1-31-9-11-32(12-10-31)13-14-34-20-4-5-21(22(26)16-20)23-6-3-19(17-29-23)15-25(33)30-18-24-27-7-2-8-28-24/h2*3-8,16-17H,9-15,18H2,1-2H3,(H,30,34);2*3-10H,11-18H2,1-2H3,(H,29,34);2-9,17-18H,10-16,19H2,1H3,(H,30,33);2-11H,12-19H2,1H3,(H,29,33);2-8,16-17H,9-15,18H2,1H3,(H,30,33)
InChIKeyIBFRQKPFBLPVHK-UHFFFAOYSA-N
XLogP17.58
TPSA558.58 Ų
H-Bond Donors7
H-Bond Acceptors47
Rotatable Bonds63
Heavy Atoms242
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003305.95
LogP ≤ 517.58
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 1047

Computed Properties (RDKit)

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

Analyze 2-[6-[2-fluoro-4-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]-3-pyridinyl]-N-[(2-methylpyrimidin-4-yl)methyl]acetamide;2-[6-[2-fluoro-4-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]-3-pyridinyl]-N-[(4-methylpyrimidin-2-yl)methyl]acetamide;2-[6-[2-fluoro-4-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]-3-pyridinyl]-N-(pyridin-2-ylmethyl)acetamide;2-[6-[2-fluoro-4-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]-3-pyridinyl]-N-(pyrimidin-2-ylmethyl)acetamide;2-[4-[2-fluoro-6-[2-(4-methylpiperazin-1-yl)ethoxy]-3-pyridinyl]phenyl]-N-[(2-methylpyrimidin-4-yl)methyl]acetamide;2-[4-[2-fluoro-6-[2-(4-methylpiperazin-1-yl)ethoxy]-3-pyridinyl]phenyl]-N-[(4-methylpyrimidin-2-yl)methyl]acetamide;2-[4-[2-fluoro-6-[2-(4-methylpiperazin-1-yl)ethoxy]-3-pyridinyl]phenyl]-N-(pyridin-2-ylmethyl)acetamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-[6-[2-fluoro-4-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]-3-pyridinyl]-N-[(2-methylpyrimidin-4-yl)methyl]acetamide;2-[6-[2-fluoro-4-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]-3-pyridinyl]-N-[(4-methylpyrimidin-2-yl)methyl]acetamide;2-[6-[2-fluoro-4-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]-3-pyridinyl]-N-(pyridin-2-ylmethyl)acetamide;2-[6-[2-fluoro-4-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]-3-pyridinyl]-N-(pyrimidin-2-ylmethyl)acetamide;2-[4-[2-fluoro-6-[2-(4-methylpiperazin-1-yl)ethoxy]-3-pyridinyl]phenyl]-N-[(2-methylpyrimidin-4-yl)methyl]acetamide;2-[4-[2-fluoro-6-[2-(4-methylpiperazin-1-yl)ethoxy]-3-pyridinyl]phenyl]-N-[(4-methylpyrimidin-2-yl)methyl]acetamide;2-[4-[2-fluoro-6-[2-(4-methylpiperazin-1-yl)ethoxy]-3-pyridinyl]phenyl]-N-(pyridin-2-ylmethyl)acetamide?
The IUPAC name of 2-[6-[2-fluoro-4-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]-3-pyridinyl]-N-[(2-methylpyrimidin-4-yl)methyl]acetamide;2-[6-[2-fluoro-4-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]-3-pyridinyl]-N-[(4-methylpyrimidin-2-yl)methyl]acetamide;2-[6-[2-fluoro-4-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]-3-pyridinyl]-N-(pyridin-2-ylmethyl)acetamide;2-[6-[2-fluoro-4-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]-3-pyridinyl]-N-(pyrimidin-2-ylmethyl)acetamide;2-[4-[2-fluoro-6-[2-(4-methylpiperazin-1-yl)ethoxy]-3-pyridinyl]phenyl]-N-[(2-methylpyrimidin-4-yl)methyl]acetamide;2-[4-[2-fluoro-6-[2-(4-methylpiperazin-1-yl)ethoxy]-3-pyridinyl]phenyl]-N-[(4-methylpyrimidin-2-yl)methyl]acetamide;2-[4-[2-fluoro-6-[2-(4-methylpiperazin-1-yl)ethoxy]-3-pyridinyl]phenyl]-N-(pyridin-2-ylmethyl)acetamide (CID 158648249) is 2-[6-[2-fluoro-4-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]-3-pyridinyl]-N-[(2-methylpyrimidin-4-yl)methyl]acetamide;2-[6-[2-fluoro-4-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]-3-pyridinyl]-N-[(4-methylpyrimidin-2-yl)methyl]acetamide;2-[6-[2-fluoro-4-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]-3-pyridinyl]-N-(pyridin-2-ylmethyl)acetamide;2-[6-[2-fluoro-4-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]-3-pyridinyl]-N-(pyrimidin-2-ylmethyl)acetamide;2-[4-[2-fluoro-6-[2-(4-methylpiperazin-1-yl)ethoxy]-3-pyridinyl]phenyl]-N-[(2-methylpyrimidin-4-yl)methyl]acetamide;2-[4-[2-fluoro-6-[2-(4-methylpiperazin-1-yl)ethoxy]-3-pyridinyl]phenyl]-N-[(4-methylpyrimidin-2-yl)methyl]acetamide;2-[4-[2-fluoro-6-[2-(4-methylpiperazin-1-yl)ethoxy]-3-pyridinyl]phenyl]-N-(pyridin-2-ylmethyl)acetamide.
What is the SMILES notation for 2-[6-[2-fluoro-4-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]-3-pyridinyl]-N-[(2-methylpyrimidin-4-yl)methyl]acetamide;2-[6-[2-fluoro-4-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]-3-pyridinyl]-N-[(4-methylpyrimidin-2-yl)methyl]acetamide;2-[6-[2-fluoro-4-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]-3-pyridinyl]-N-(pyridin-2-ylmethyl)acetamide;2-[6-[2-fluoro-4-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]-3-pyridinyl]-N-(pyrimidin-2-ylmethyl)acetamide;2-[4-[2-fluoro-6-[2-(4-methylpiperazin-1-yl)ethoxy]-3-pyridinyl]phenyl]-N-[(2-methylpyrimidin-4-yl)methyl]acetamide;2-[4-[2-fluoro-6-[2-(4-methylpiperazin-1-yl)ethoxy]-3-pyridinyl]phenyl]-N-[(4-methylpyrimidin-2-yl)methyl]acetamide;2-[4-[2-fluoro-6-[2-(4-methylpiperazin-1-yl)ethoxy]-3-pyridinyl]phenyl]-N-(pyridin-2-ylmethyl)acetamide?
The canonical SMILES for 2-[6-[2-fluoro-4-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]-3-pyridinyl]-N-[(2-methylpyrimidin-4-yl)methyl]acetamide;2-[6-[2-fluoro-4-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]-3-pyridinyl]-N-[(4-methylpyrimidin-2-yl)methyl]acetamide;2-[6-[2-fluoro-4-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]-3-pyridinyl]-N-(pyridin-2-ylmethyl)acetamide;2-[6-[2-fluoro-4-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]-3-pyridinyl]-N-(pyrimidin-2-ylmethyl)acetamide;2-[4-[2-fluoro-6-[2-(4-methylpiperazin-1-yl)ethoxy]-3-pyridinyl]phenyl]-N-[(2-methylpyrimidin-4-yl)methyl]acetamide;2-[4-[2-fluoro-6-[2-(4-methylpiperazin-1-yl)ethoxy]-3-pyridinyl]phenyl]-N-[(4-methylpyrimidin-2-yl)methyl]acetamide;2-[4-[2-fluoro-6-[2-(4-methylpiperazin-1-yl)ethoxy]-3-pyridinyl]phenyl]-N-(pyridin-2-ylmethyl)acetamide is CN1CCN(CCOc2ccc(-c3ccc(CC(=O)NCc4ccccn4)cc3)c(F)n2)CC1.CN1CCN(CCOc2ccc(-c3ccc(CC(=O)NCc4ccccn4)cn3)c(F)c2)CC1.CN1CCN(CCOc2ccc(-c3ccc(CC(=O)NCc4ncccn4)cn3)c(F)c2)CC1.Cc1ccnc(CNC(=O)Cc2ccc(-c3ccc(OCCN4CCN(C)CC4)cc3F)nc2)n1.Cc1ccnc(CNC(=O)Cc2ccc(-c3ccc(OCCN4CCN(C)CC4)nc3F)cc2)n1.Cc1nccc(CNC(=O)Cc2ccc(-c3ccc(OCCN4CCN(C)CC4)cc3F)nc2)n1.Cc1nccc(CNC(=O)Cc2ccc(-c3ccc(OCCN4CCN(C)CC4)nc3F)cc2)n1.
What is the InChIKey of 2-[6-[2-fluoro-4-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]-3-pyridinyl]-N-[(2-methylpyrimidin-4-yl)methyl]acetamide;2-[6-[2-fluoro-4-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]-3-pyridinyl]-N-[(4-methylpyrimidin-2-yl)methyl]acetamide;2-[6-[2-fluoro-4-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]-3-pyridinyl]-N-(pyridin-2-ylmethyl)acetamide;2-[6-[2-fluoro-4-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]-3-pyridinyl]-N-(pyrimidin-2-ylmethyl)acetamide;2-[4-[2-fluoro-6-[2-(4-methylpiperazin-1-yl)ethoxy]-3-pyridinyl]phenyl]-N-[(2-methylpyrimidin-4-yl)methyl]acetamide;2-[4-[2-fluoro-6-[2-(4-methylpiperazin-1-yl)ethoxy]-3-pyridinyl]phenyl]-N-[(4-methylpyrimidin-2-yl)methyl]acetamide;2-[4-[2-fluoro-6-[2-(4-methylpiperazin-1-yl)ethoxy]-3-pyridinyl]phenyl]-N-(pyridin-2-ylmethyl)acetamide?
The InChIKey is IBFRQKPFBLPVHK-UHFFFAOYSA-N. The full InChI is InChI=1S/4C26H31FN6O2.2C26H30FN5O2.C25H29FN6O2/c1-19-28-8-7-21(31-19)18-30-26(34)15-20-3-6-25(29-17-20)23-5-4-22(16-24(23)27)35-14-13-33-11-9-32(2)10-12-33;1-19-7-8-28-25(31-19)18-30-26(34)15-20-3-6-24(29-17-20)22-5-4-21(16-23(22)27)35-14-13-33-11-9-32(2)10-12-33;1-19-28-10-9-22(30-19)18-29-24(34)17-20-3-5-21(6-4-20)23-7-8-25(31-26(23)27)35-16-15-33-13-11-32(2)12-14-33;1-19-9-10-28-23(30-19)18-29-24(34)17-20-3-5-21(6-4-20)22-7-8-25(31-26(22)27)35-16-15-33-13-11-32(2)12-14-33;1-31-10-12-32(13-11-31)14-15-34-22-6-7-23(24(27)17-22)25-8-5-20(18-29-25)16-26(33)30-19-21-4-2-3-9-28-21;1-31-12-14-32(15-13-31)16-17-34-25-10-9-23(26(27)30-25)21-7-5-20(6-8-21)18-24(33)29-19-22-4-2-3-11-28-22;1-31-9-11-32(12-10-31)13-14-34-20-4-5-21(22(26)16-20)23-6-3-19(17-29-23)15-25(33)30-18-24-27-7-2-8-28-24/h2*3-8,16-17H,9-15,18H2,1-2H3,(H,30,34);2*3-10H,11-18H2,1-2H3,(H,29,34);2-9,17-18H,10-16,19H2,1H3,(H,30,33);2-11H,12-19H2,1H3,(H,29,33);2-8,16-17H,9-15,18H2,1H3,(H,30,33).
What are the key properties of 2-[6-[2-fluoro-4-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]-3-pyridinyl]-N-[(2-methylpyrimidin-4-yl)methyl]acetamide;2-[6-[2-fluoro-4-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]-3-pyridinyl]-N-[(4-methylpyrimidin-2-yl)methyl]acetamide;2-[6-[2-fluoro-4-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]-3-pyridinyl]-N-(pyridin-2-ylmethyl)acetamide;2-[6-[2-fluoro-4-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]-3-pyridinyl]-N-(pyrimidin-2-ylmethyl)acetamide;2-[4-[2-fluoro-6-[2-(4-methylpiperazin-1-yl)ethoxy]-3-pyridinyl]phenyl]-N-[(2-methylpyrimidin-4-yl)methyl]acetamide;2-[4-[2-fluoro-6-[2-(4-methylpiperazin-1-yl)ethoxy]-3-pyridinyl]phenyl]-N-[(4-methylpyrimidin-2-yl)methyl]acetamide;2-[4-[2-fluoro-6-[2-(4-methylpiperazin-1-yl)ethoxy]-3-pyridinyl]phenyl]-N-(pyridin-2-ylmethyl)acetamide?
2-[6-[2-fluoro-4-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]-3-pyridinyl]-N-[(2-methylpyrimidin-4-yl)methyl]acetamide;2-[6-[2-fluoro-4-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]-3-pyridinyl]-N-[(4-methylpyrimidin-2-yl)methyl]acetamide;2-[6-[2-fluoro-4-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]-3-pyridinyl]-N-(pyridin-2-ylmethyl)acetamide;2-[6-[2-fluoro-4-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]-3-pyridinyl]-N-(pyrimidin-2-ylmethyl)acetamide;2-[4-[2-fluoro-6-[2-(4-methylpiperazin-1-yl)ethoxy]-3-pyridinyl]phenyl]-N-[(2-methylpyrimidin-4-yl)methyl]acetamide;2-[4-[2-fluoro-6-[2-(4-methylpiperazin-1-yl)ethoxy]-3-pyridinyl]phenyl]-N-[(4-methylpyrimidin-2-yl)methyl]acetamide;2-[4-[2-fluoro-6-[2-(4-methylpiperazin-1-yl)ethoxy]-3-pyridinyl]phenyl]-N-(pyridin-2-ylmethyl)acetamide has a molecular weight of 3305.95 g/mol, XLogP of 17.58, 63 rotatable bonds, 7 hydrogen bond donors, and 47 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-[2-fluoro-4-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]-3-pyridinyl]-N-[(2-methylpyrimidin-4-yl)methyl]acetamide;2-[6-[2-fluoro-4-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]-3-pyridinyl]-N-[(4-methylpyrimidin-2-yl)methyl]acetamide;2-[6-[2-fluoro-4-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]-3-pyridinyl]-N-(pyridin-2-ylmethyl)acetamide;2-[6-[2-fluoro-4-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]-3-pyridinyl]-N-(pyrimidin-2-ylmethyl)acetamide;2-[4-[2-fluoro-6-[2-(4-methylpiperazin-1-yl)ethoxy]-3-pyridinyl]phenyl]-N-[(2-methylpyrimidin-4-yl)methyl]acetamide;2-[4-[2-fluoro-6-[2-(4-methylpiperazin-1-yl)ethoxy]-3-pyridinyl]phenyl]-N-[(4-methylpyrimidin-2-yl)methyl]acetamide;2-[4-[2-fluoro-6-[2-(4-methylpiperazin-1-yl)ethoxy]-3-pyridinyl]phenyl]-N-(pyridin-2-ylmethyl)acetamide is sourced from PubChem (CID 158648249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).