N-[4-(2-amino-4-pyridinyl)thiophen-2-yl]-2-[3-[3-(4-methylpiperazin-1-yl)propyl]phenyl]acetamide;2-(6-chloro-1,3-benzodioxol-5-yl)-N-[4-(2-chloro-4-pyridinyl)thiophen-2-yl]acetamide;2-[2-chloro-4-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]-N-[4-(2-fluoro-4-pyridinyl)thiophen-2-yl]acetamide;methane

C68H73Cl3FN11O6S3 — CID 157322612

IUPACN-[4-(2-amino-4-pyridinyl)thiophen-2-yl]-2-[3-[3-(4-methylpiperazin-1-yl)propyl]phenyl]acetamide;2-(6-chloro-1,3-benzodioxol-5-yl)-N-[4-(2-chloro-4-pyridinyl)thiophen-2-yl]acetamide;2-[2-chloro-4-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]-N-[4-(2-fluoro-4-pyridinyl)thiophen-2-yl]acetamide;methane
SMILESC.CN1CCN(CCCc2cccc(CC(=O)Nc3cc(-c4ccnc(N)c4)cs3)c2)CC1.CN1CCN(CCOc2ccc(CC(=O)Nc3cc(-c4ccnc(F)c4)cs3)c(Cl)c2)CC1.O=C(Cc1cc2c(cc1Cl)OCO2)Nc1cc(-c2ccnc(Cl)c2)cs1
InChIInChI=1S/C25H31N5OS.C24H26ClFN4O2S.C18H12Cl2N2O3S.CH4/c1-29-10-12-30(13-11-29)9-3-6-19-4-2-5-20(14-19)15-24(31)28-25-17-22(18-32-25)21-7-8-27-23(26)16-21;1-29-6-8-30(9-7-29)10-11-32-20-3-2-18(21(25)15-20)13-23(31)28-24-14-19(16-33-24)17-4-5-27-22(26)12-17;19-13-7-15-14(24-9-25-15)3-11(13)5-17(23)22-18-6-12(8-26-18)10-1-2-21-16(20)4-10;/h2,4-5,7-8,14,16-18H,3,6,9-13,15H2,1H3,(H2,26,27)(H,28,31);2-5,12,14-16H,6-11,13H2,1H3,(H,28,31);1-4,6-8H,5,9H2,(H,22,23);1H4
InChIKeyBEIQQTIZYUAREZ-UHFFFAOYSA-N
MW1361.96 g/mol
LogP13.83
Rot. Bonds20

About N-[4-(2-amino-4-pyridinyl)thiophen-2-yl]-2-[3-[3-(4-methylpiperazin-1-yl)propyl]phenyl]acetamide;2-(6-chloro-1,3-benzodioxol-5-yl)-N-[4-(2-chloro-4-pyridinyl)thiophen-2-yl]acetamide;2-[2-chloro-4-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]-N-[4-(2-fluoro-4-pyridinyl)thiophen-2-yl]acetamide;methane

N-[4-(2-amino-4-pyridinyl)thiophen-2-yl]-2-[3-[3-(4-methylpiperazin-1-yl)propyl]phenyl]acetamide;2-(6-chloro-1,3-benzodioxol-5-yl)-N-[4-(2-chloro-4-pyridinyl)thiophen-2-yl]acetamide;2-[2-chloro-4-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]-N-[4-(2-fluoro-4-pyridinyl)thiophen-2-yl]acetamide;methane (PubChem CID 157322612) has the molecular formula C68H73Cl3FN11O6S3 and a molecular weight of 1361.96 g/mol. Its IUPAC name is N-[4-(2-amino-4-pyridinyl)thiophen-2-yl]-2-[3-[3-(4-methylpiperazin-1-yl)propyl]phenyl]acetamide;2-(6-chloro-1,3-benzodioxol-5-yl)-N-[4-(2-chloro-4-pyridinyl)thiophen-2-yl]acetamide;2-[2-chloro-4-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]-N-[4-(2-fluoro-4-pyridinyl)thiophen-2-yl]acetamide;methane.

Molecular Properties

Compound NameN-[4-(2-amino-4-pyridinyl)thiophen-2-yl]-2-[3-[3-(4-methylpiperazin-1-yl)propyl]phenyl]acetamide;2-(6-chloro-1,3-benzodioxol-5-yl)-N-[4-(2-chloro-4-pyridinyl)thiophen-2-yl]acetamide;2-[2-chloro-4-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]-N-[4-(2-fluoro-4-pyridinyl)thiophen-2-yl]acetamide;methane
PubChem CID157322612
Molecular FormulaC68H73Cl3FN11O6S3
Molecular Weight1361.96 g/mol
Exact Mass1359.40
IUPAC NameN-[4-(2-amino-4-pyridinyl)thiophen-2-yl]-2-[3-[3-(4-methylpiperazin-1-yl)propyl]phenyl]acetamide;2-(6-chloro-1,3-benzodioxol-5-yl)-N-[4-(2-chloro-4-pyridinyl)thiophen-2-yl]acetamide;2-[2-chloro-4-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]-N-[4-(2-fluoro-4-pyridinyl)thiophen-2-yl]acetamide;methane
SMILESC.CN1CCN(CCCc2cccc(CC(=O)Nc3cc(-c4ccnc(N)c4)cs3)c2)CC1.CN1CCN(CCOc2ccc(CC(=O)Nc3cc(-c4ccnc(F)c4)cs3)c(Cl)c2)CC1.O=C(Cc1cc2c(cc1Cl)OCO2)Nc1cc(-c2ccnc(Cl)c2)cs1
InChIInChI=1S/C25H31N5OS.C24H26ClFN4O2S.C18H12Cl2N2O3S.CH4/c1-29-10-12-30(13-11-29)9-3-6-19-4-2-5-20(14-19)15-24(31)28-25-17-22(18-32-25)21-7-8-27-23(26)16-21;1-29-6-8-30(9-7-29)10-11-32-20-3-2-18(21(25)15-20)13-23(31)28-24-14-19(16-33-24)17-4-5-27-22(26)12-17;19-13-7-15-14(24-9-25-15)3-11(13)5-17(23)22-18-6-12(8-26-18)10-1-2-21-16(20)4-10;/h2,4-5,7-8,14,16-18H,3,6,9-13,15H2,1H3,(H2,26,27)(H,28,31);2-5,12,14-16H,6-11,13H2,1H3,(H,28,31);1-4,6-8H,5,9H2,(H,22,23);1H4
InChIKeyBEIQQTIZYUAREZ-UHFFFAOYSA-N
XLogP13.83
TPSA192.64 Ų
H-Bond Donors4
H-Bond Acceptors17
Rotatable Bonds20
Heavy Atoms92
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001361.96
LogP ≤ 513.83
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1017

Computed Properties (RDKit)

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

Analyze N-[4-(2-amino-4-pyridinyl)thiophen-2-yl]-2-[3-[3-(4-methylpiperazin-1-yl)propyl]phenyl]acetamide;2-(6-chloro-1,3-benzodioxol-5-yl)-N-[4-(2-chloro-4-pyridinyl)thiophen-2-yl]acetamide;2-[2-chloro-4-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]-N-[4-(2-fluoro-4-pyridinyl)thiophen-2-yl]acetamide;methane with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[4-(2-amino-4-pyridinyl)thiophen-2-yl]-2-[3-[3-(4-methylpiperazin-1-yl)propyl]phenyl]acetamide;2-(6-chloro-1,3-benzodioxol-5-yl)-N-[4-(2-chloro-4-pyridinyl)thiophen-2-yl]acetamide;2-[2-chloro-4-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]-N-[4-(2-fluoro-4-pyridinyl)thiophen-2-yl]acetamide;methane?
The IUPAC name of N-[4-(2-amino-4-pyridinyl)thiophen-2-yl]-2-[3-[3-(4-methylpiperazin-1-yl)propyl]phenyl]acetamide;2-(6-chloro-1,3-benzodioxol-5-yl)-N-[4-(2-chloro-4-pyridinyl)thiophen-2-yl]acetamide;2-[2-chloro-4-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]-N-[4-(2-fluoro-4-pyridinyl)thiophen-2-yl]acetamide;methane (CID 157322612) is N-[4-(2-amino-4-pyridinyl)thiophen-2-yl]-2-[3-[3-(4-methylpiperazin-1-yl)propyl]phenyl]acetamide;2-(6-chloro-1,3-benzodioxol-5-yl)-N-[4-(2-chloro-4-pyridinyl)thiophen-2-yl]acetamide;2-[2-chloro-4-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]-N-[4-(2-fluoro-4-pyridinyl)thiophen-2-yl]acetamide;methane.
What is the SMILES notation for N-[4-(2-amino-4-pyridinyl)thiophen-2-yl]-2-[3-[3-(4-methylpiperazin-1-yl)propyl]phenyl]acetamide;2-(6-chloro-1,3-benzodioxol-5-yl)-N-[4-(2-chloro-4-pyridinyl)thiophen-2-yl]acetamide;2-[2-chloro-4-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]-N-[4-(2-fluoro-4-pyridinyl)thiophen-2-yl]acetamide;methane?
The canonical SMILES for N-[4-(2-amino-4-pyridinyl)thiophen-2-yl]-2-[3-[3-(4-methylpiperazin-1-yl)propyl]phenyl]acetamide;2-(6-chloro-1,3-benzodioxol-5-yl)-N-[4-(2-chloro-4-pyridinyl)thiophen-2-yl]acetamide;2-[2-chloro-4-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]-N-[4-(2-fluoro-4-pyridinyl)thiophen-2-yl]acetamide;methane is C.CN1CCN(CCCc2cccc(CC(=O)Nc3cc(-c4ccnc(N)c4)cs3)c2)CC1.CN1CCN(CCOc2ccc(CC(=O)Nc3cc(-c4ccnc(F)c4)cs3)c(Cl)c2)CC1.O=C(Cc1cc2c(cc1Cl)OCO2)Nc1cc(-c2ccnc(Cl)c2)cs1.
What is the InChIKey of N-[4-(2-amino-4-pyridinyl)thiophen-2-yl]-2-[3-[3-(4-methylpiperazin-1-yl)propyl]phenyl]acetamide;2-(6-chloro-1,3-benzodioxol-5-yl)-N-[4-(2-chloro-4-pyridinyl)thiophen-2-yl]acetamide;2-[2-chloro-4-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]-N-[4-(2-fluoro-4-pyridinyl)thiophen-2-yl]acetamide;methane?
The InChIKey is BEIQQTIZYUAREZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H31N5OS.C24H26ClFN4O2S.C18H12Cl2N2O3S.CH4/c1-29-10-12-30(13-11-29)9-3-6-19-4-2-5-20(14-19)15-24(31)28-25-17-22(18-32-25)21-7-8-27-23(26)16-21;1-29-6-8-30(9-7-29)10-11-32-20-3-2-18(21(25)15-20)13-23(31)28-24-14-19(16-33-24)17-4-5-27-22(26)12-17;19-13-7-15-14(24-9-25-15)3-11(13)5-17(23)22-18-6-12(8-26-18)10-1-2-21-16(20)4-10;/h2,4-5,7-8,14,16-18H,3,6,9-13,15H2,1H3,(H2,26,27)(H,28,31);2-5,12,14-16H,6-11,13H2,1H3,(H,28,31);1-4,6-8H,5,9H2,(H,22,23);1H4.
What are the key properties of N-[4-(2-amino-4-pyridinyl)thiophen-2-yl]-2-[3-[3-(4-methylpiperazin-1-yl)propyl]phenyl]acetamide;2-(6-chloro-1,3-benzodioxol-5-yl)-N-[4-(2-chloro-4-pyridinyl)thiophen-2-yl]acetamide;2-[2-chloro-4-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]-N-[4-(2-fluoro-4-pyridinyl)thiophen-2-yl]acetamide;methane?
N-[4-(2-amino-4-pyridinyl)thiophen-2-yl]-2-[3-[3-(4-methylpiperazin-1-yl)propyl]phenyl]acetamide;2-(6-chloro-1,3-benzodioxol-5-yl)-N-[4-(2-chloro-4-pyridinyl)thiophen-2-yl]acetamide;2-[2-chloro-4-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]-N-[4-(2-fluoro-4-pyridinyl)thiophen-2-yl]acetamide;methane has a molecular weight of 1361.96 g/mol, XLogP of 13.83, 20 rotatable bonds, 4 hydrogen bond donors, and 17 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2-amino-4-pyridinyl)thiophen-2-yl]-2-[3-[3-(4-methylpiperazin-1-yl)propyl]phenyl]acetamide;2-(6-chloro-1,3-benzodioxol-5-yl)-N-[4-(2-chloro-4-pyridinyl)thiophen-2-yl]acetamide;2-[2-chloro-4-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]-N-[4-(2-fluoro-4-pyridinyl)thiophen-2-yl]acetamide;methane is sourced from PubChem (CID 157322612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).