4-[2-(4-chloropyrazol-1-yl)ethylamino]-3-[6-[1-(2-hydroxyethyl)piperidin-4-yl]-4-methyl-1H-benzimidazol-2-yl]-1H-pyridin-2-one;4-[2-(4-chloropyrazol-1-yl)ethylamino]-3-[6-[1-(2-methoxyethyl)piperidin-4-yl]-4-methyl-1H-benzimidazol-2-yl]-1H-pyridin-2-one;4-[2-(4-chloropyrazol-1-yl)ethylamino]-3-[4-methyl-6-(1-methylpiperidin-4-yl)-1H-benzimidazol-2-yl]-1H-pyridin-2-one;4-[2-(4-chloropyrazol-1-yl)ethylamino]-3-(4-methyl-6-piperidin-4-yl-1H-benzimidazol-2-yl)-1H-pyridin-2-one

C98H116Cl4N28O6 — CID 160903049

IUPAC4-[2-(4-chloropyrazol-1-yl)ethylamino]-3-[6-[1-(2-hydroxyethyl)piperidin-4-yl]-4-methyl-1H-benzimidazol-2-yl]-1H-pyridin-2-one;4-[2-(4-chloropyrazol-1-yl)ethylamino]-3-[6-[1-(2-methoxyethyl)piperidin-4-yl]-4-methyl-1H-benzimidazol-2-yl]-1H-pyridin-2-one;4-[2-(4-chloropyrazol-1-yl)ethylamino]-3-[4-methyl-6-(1-methylpiperidin-4-yl)-1H-benzimidazol-2-yl]-1H-pyridin-2-one;4-[2-(4-chloropyrazol-1-yl)ethylamino]-3-(4-methyl-6-piperidin-4-yl-1H-benzimidazol-2-yl)-1H-pyridin-2-one
SMILESCOCCN1CCC(c2cc(C)c3nc(-c4c(NCCn5cc(Cl)cn5)cc[nH]c4=O)[nH]c3c2)CC1.Cc1cc(C2CCN(C)CC2)cc2[nH]c(-c3c(NCCn4cc(Cl)cn4)cc[nH]c3=O)nc12.Cc1cc(C2CCN(CCO)CC2)cc2[nH]c(-c3c(NCCn4cc(Cl)cn4)cc[nH]c3=O)nc12.Cc1cc(C2CCNCC2)cc2[nH]c(-c3c(NCCn4cc(Cl)cn4)cc[nH]c3=O)nc12
InChIInChI=1S/C26H32ClN7O2.C25H30ClN7O2.C24H28ClN7O.C23H26ClN7O/c1-17-13-19(18-4-8-33(9-5-18)11-12-36-2)14-22-24(17)32-25(31-22)23-21(3-6-29-26(23)35)28-7-10-34-16-20(27)15-30-34;1-16-12-18(17-3-7-32(8-4-17)10-11-34)13-21-23(16)31-24(30-21)22-20(2-5-28-25(22)35)27-6-9-33-15-19(26)14-29-33;1-15-11-17(16-4-8-31(2)9-5-16)12-20-22(15)30-23(29-20)21-19(3-6-27-24(21)33)26-7-10-32-14-18(25)13-28-32;1-14-10-16(15-2-5-25-6-3-15)11-19-21(14)30-22(29-19)20-18(4-7-27-23(20)32)26-8-9-31-13-17(24)12-28-31/h3,6,13-16,18H,4-5,7-12H2,1-2H3,(H,31,32)(H2,28,29,35);2,5,12-15,17,34H,3-4,6-11H2,1H3,(H,30,31)(H2,27,28,35);3,6,11-14,16H,4-5,7-10H2,1-2H3,(H,29,30)(H2,26,27,33);4,7,10-13,15,25H,2-3,5-6,8-9H2,1H3,(H,29,30)(H2,26,27,32)
InChIKeySPTPCFHNOADHDQ-UHFFFAOYSA-N
MW1924.01 g/mol
LogP15.03
Rot. Bonds29

About 4-[2-(4-chloropyrazol-1-yl)ethylamino]-3-[6-[1-(2-hydroxyethyl)piperidin-4-yl]-4-methyl-1H-benzimidazol-2-yl]-1H-pyridin-2-one;4-[2-(4-chloropyrazol-1-yl)ethylamino]-3-[6-[1-(2-methoxyethyl)piperidin-4-yl]-4-methyl-1H-benzimidazol-2-yl]-1H-pyridin-2-one;4-[2-(4-chloropyrazol-1-yl)ethylamino]-3-[4-methyl-6-(1-methylpiperidin-4-yl)-1H-benzimidazol-2-yl]-1H-pyridin-2-one;4-[2-(4-chloropyrazol-1-yl)ethylamino]-3-(4-methyl-6-piperidin-4-yl-1H-benzimidazol-2-yl)-1H-pyridin-2-one

4-[2-(4-chloropyrazol-1-yl)ethylamino]-3-[6-[1-(2-hydroxyethyl)piperidin-4-yl]-4-methyl-1H-benzimidazol-2-yl]-1H-pyridin-2-one;4-[2-(4-chloropyrazol-1-yl)ethylamino]-3-[6-[1-(2-methoxyethyl)piperidin-4-yl]-4-methyl-1H-benzimidazol-2-yl]-1H-pyridin-2-one;4-[2-(4-chloropyrazol-1-yl)ethylamino]-3-[4-methyl-6-(1-methylpiperidin-4-yl)-1H-benzimidazol-2-yl]-1H-pyridin-2-one;4-[2-(4-chloropyrazol-1-yl)ethylamino]-3-(4-methyl-6-piperidin-4-yl-1H-benzimidazol-2-yl)-1H-pyridin-2-one (PubChem CID 160903049) has the molecular formula C98H116Cl4N28O6 and a molecular weight of 1924.01 g/mol. Its IUPAC name is 4-[2-(4-chloropyrazol-1-yl)ethylamino]-3-[6-[1-(2-hydroxyethyl)piperidin-4-yl]-4-methyl-1H-benzimidazol-2-yl]-1H-pyridin-2-one;4-[2-(4-chloropyrazol-1-yl)ethylamino]-3-[6-[1-(2-methoxyethyl)piperidin-4-yl]-4-methyl-1H-benzimidazol-2-yl]-1H-pyridin-2-one;4-[2-(4-chloropyrazol-1-yl)ethylamino]-3-[4-methyl-6-(1-methylpiperidin-4-yl)-1H-benzimidazol-2-yl]-1H-pyridin-2-one;4-[2-(4-chloropyrazol-1-yl)ethylamino]-3-(4-methyl-6-piperidin-4-yl-1H-benzimidazol-2-yl)-1H-pyridin-2-one.

Molecular Properties

Compound Name4-[2-(4-chloropyrazol-1-yl)ethylamino]-3-[6-[1-(2-hydroxyethyl)piperidin-4-yl]-4-methyl-1H-benzimidazol-2-yl]-1H-pyridin-2-one;4-[2-(4-chloropyrazol-1-yl)ethylamino]-3-[6-[1-(2-methoxyethyl)piperidin-4-yl]-4-methyl-1H-benzimidazol-2-yl]-1H-pyridin-2-one;4-[2-(4-chloropyrazol-1-yl)ethylamino]-3-[4-methyl-6-(1-methylpiperidin-4-yl)-1H-benzimidazol-2-yl]-1H-pyridin-2-one;4-[2-(4-chloropyrazol-1-yl)ethylamino]-3-(4-methyl-6-piperidin-4-yl-1H-benzimidazol-2-yl)-1H-pyridin-2-one
PubChem CID160903049
Molecular FormulaC98H116Cl4N28O6
Molecular Weight1924.01 g/mol
Exact Mass1920.84
IUPAC Name4-[2-(4-chloropyrazol-1-yl)ethylamino]-3-[6-[1-(2-hydroxyethyl)piperidin-4-yl]-4-methyl-1H-benzimidazol-2-yl]-1H-pyridin-2-one;4-[2-(4-chloropyrazol-1-yl)ethylamino]-3-[6-[1-(2-methoxyethyl)piperidin-4-yl]-4-methyl-1H-benzimidazol-2-yl]-1H-pyridin-2-one;4-[2-(4-chloropyrazol-1-yl)ethylamino]-3-[4-methyl-6-(1-methylpiperidin-4-yl)-1H-benzimidazol-2-yl]-1H-pyridin-2-one;4-[2-(4-chloropyrazol-1-yl)ethylamino]-3-(4-methyl-6-piperidin-4-yl-1H-benzimidazol-2-yl)-1H-pyridin-2-one
SMILESCOCCN1CCC(c2cc(C)c3nc(-c4c(NCCn5cc(Cl)cn5)cc[nH]c4=O)[nH]c3c2)CC1.Cc1cc(C2CCN(C)CC2)cc2[nH]c(-c3c(NCCn4cc(Cl)cn4)cc[nH]c3=O)nc12.Cc1cc(C2CCN(CCO)CC2)cc2[nH]c(-c3c(NCCn4cc(Cl)cn4)cc[nH]c3=O)nc12.Cc1cc(C2CCNCC2)cc2[nH]c(-c3c(NCCn4cc(Cl)cn4)cc[nH]c3=O)nc12
InChIInChI=1S/C26H32ClN7O2.C25H30ClN7O2.C24H28ClN7O.C23H26ClN7O/c1-17-13-19(18-4-8-33(9-5-18)11-12-36-2)14-22-24(17)32-25(31-22)23-21(3-6-29-26(23)35)28-7-10-34-16-20(27)15-30-34;1-16-12-18(17-3-7-32(8-4-17)10-11-34)13-21-23(16)31-24(30-21)22-20(2-5-28-25(22)35)27-6-9-33-15-19(26)14-29-33;1-15-11-17(16-4-8-31(2)9-5-16)12-20-22(15)30-23(29-20)21-19(3-6-27-24(21)33)26-7-10-32-14-18(25)13-28-32;1-14-10-16(15-2-5-25-6-3-15)11-19-21(14)30-22(29-19)20-18(4-7-27-23(20)32)26-8-9-31-13-17(24)12-28-31/h3,6,13-16,18H,4-5,7-12H2,1-2H3,(H,31,32)(H2,28,29,35);2,5,12-15,17,34H,3-4,6-11H2,1H3,(H,30,31)(H2,27,28,35);3,6,11-14,16H,4-5,7-10H2,1-2H3,(H,29,30)(H2,26,27,33);4,7,10-13,15,25H,2-3,5-6,8-9H2,1H3,(H,29,30)(H2,26,27,32)
InChIKeySPTPCFHNOADHDQ-UHFFFAOYSA-N
XLogP15.03
TPSA416.77 Ų
H-Bond Donors14
H-Bond Acceptors26
Rotatable Bonds29
Heavy Atoms136
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001924.01
LogP ≤ 515.03
H-Bond Donors ≤ 514
H-Bond Acceptors ≤ 1026

Analyze 4-[2-(4-chloropyrazol-1-yl)ethylamino]-3-[6-[1-(2-hydroxyethyl)piperidin-4-yl]-4-methyl-1H-benzimidazol-2-yl]-1H-pyridin-2-one;4-[2-(4-chloropyrazol-1-yl)ethylamino]-3-[6-[1-(2-methoxyethyl)piperidin-4-yl]-4-methyl-1H-benzimidazol-2-yl]-1H-pyridin-2-one;4-[2-(4-chloropyrazol-1-yl)ethylamino]-3-[4-methyl-6-(1-methylpiperidin-4-yl)-1H-benzimidazol-2-yl]-1H-pyridin-2-one;4-[2-(4-chloropyrazol-1-yl)ethylamino]-3-(4-methyl-6-piperidin-4-yl-1H-benzimidazol-2-yl)-1H-pyridin-2-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-[2-(4-chloropyrazol-1-yl)ethylamino]-3-[6-[1-(2-hydroxyethyl)piperidin-4-yl]-4-methyl-1H-benzimidazol-2-yl]-1H-pyridin-2-one;4-[2-(4-chloropyrazol-1-yl)ethylamino]-3-[6-[1-(2-methoxyethyl)piperidin-4-yl]-4-methyl-1H-benzimidazol-2-yl]-1H-pyridin-2-one;4-[2-(4-chloropyrazol-1-yl)ethylamino]-3-[4-methyl-6-(1-methylpiperidin-4-yl)-1H-benzimidazol-2-yl]-1H-pyridin-2-one;4-[2-(4-chloropyrazol-1-yl)ethylamino]-3-(4-methyl-6-piperidin-4-yl-1H-benzimidazol-2-yl)-1H-pyridin-2-one?
The IUPAC name of 4-[2-(4-chloropyrazol-1-yl)ethylamino]-3-[6-[1-(2-hydroxyethyl)piperidin-4-yl]-4-methyl-1H-benzimidazol-2-yl]-1H-pyridin-2-one;4-[2-(4-chloropyrazol-1-yl)ethylamino]-3-[6-[1-(2-methoxyethyl)piperidin-4-yl]-4-methyl-1H-benzimidazol-2-yl]-1H-pyridin-2-one;4-[2-(4-chloropyrazol-1-yl)ethylamino]-3-[4-methyl-6-(1-methylpiperidin-4-yl)-1H-benzimidazol-2-yl]-1H-pyridin-2-one;4-[2-(4-chloropyrazol-1-yl)ethylamino]-3-(4-methyl-6-piperidin-4-yl-1H-benzimidazol-2-yl)-1H-pyridin-2-one (CID 160903049) is 4-[2-(4-chloropyrazol-1-yl)ethylamino]-3-[6-[1-(2-hydroxyethyl)piperidin-4-yl]-4-methyl-1H-benzimidazol-2-yl]-1H-pyridin-2-one;4-[2-(4-chloropyrazol-1-yl)ethylamino]-3-[6-[1-(2-methoxyethyl)piperidin-4-yl]-4-methyl-1H-benzimidazol-2-yl]-1H-pyridin-2-one;4-[2-(4-chloropyrazol-1-yl)ethylamino]-3-[4-methyl-6-(1-methylpiperidin-4-yl)-1H-benzimidazol-2-yl]-1H-pyridin-2-one;4-[2-(4-chloropyrazol-1-yl)ethylamino]-3-(4-methyl-6-piperidin-4-yl-1H-benzimidazol-2-yl)-1H-pyridin-2-one.
What is the SMILES notation for 4-[2-(4-chloropyrazol-1-yl)ethylamino]-3-[6-[1-(2-hydroxyethyl)piperidin-4-yl]-4-methyl-1H-benzimidazol-2-yl]-1H-pyridin-2-one;4-[2-(4-chloropyrazol-1-yl)ethylamino]-3-[6-[1-(2-methoxyethyl)piperidin-4-yl]-4-methyl-1H-benzimidazol-2-yl]-1H-pyridin-2-one;4-[2-(4-chloropyrazol-1-yl)ethylamino]-3-[4-methyl-6-(1-methylpiperidin-4-yl)-1H-benzimidazol-2-yl]-1H-pyridin-2-one;4-[2-(4-chloropyrazol-1-yl)ethylamino]-3-(4-methyl-6-piperidin-4-yl-1H-benzimidazol-2-yl)-1H-pyridin-2-one?
The canonical SMILES for 4-[2-(4-chloropyrazol-1-yl)ethylamino]-3-[6-[1-(2-hydroxyethyl)piperidin-4-yl]-4-methyl-1H-benzimidazol-2-yl]-1H-pyridin-2-one;4-[2-(4-chloropyrazol-1-yl)ethylamino]-3-[6-[1-(2-methoxyethyl)piperidin-4-yl]-4-methyl-1H-benzimidazol-2-yl]-1H-pyridin-2-one;4-[2-(4-chloropyrazol-1-yl)ethylamino]-3-[4-methyl-6-(1-methylpiperidin-4-yl)-1H-benzimidazol-2-yl]-1H-pyridin-2-one;4-[2-(4-chloropyrazol-1-yl)ethylamino]-3-(4-methyl-6-piperidin-4-yl-1H-benzimidazol-2-yl)-1H-pyridin-2-one is COCCN1CCC(c2cc(C)c3nc(-c4c(NCCn5cc(Cl)cn5)cc[nH]c4=O)[nH]c3c2)CC1.Cc1cc(C2CCN(C)CC2)cc2[nH]c(-c3c(NCCn4cc(Cl)cn4)cc[nH]c3=O)nc12.Cc1cc(C2CCN(CCO)CC2)cc2[nH]c(-c3c(NCCn4cc(Cl)cn4)cc[nH]c3=O)nc12.Cc1cc(C2CCNCC2)cc2[nH]c(-c3c(NCCn4cc(Cl)cn4)cc[nH]c3=O)nc12.
What is the InChIKey of 4-[2-(4-chloropyrazol-1-yl)ethylamino]-3-[6-[1-(2-hydroxyethyl)piperidin-4-yl]-4-methyl-1H-benzimidazol-2-yl]-1H-pyridin-2-one;4-[2-(4-chloropyrazol-1-yl)ethylamino]-3-[6-[1-(2-methoxyethyl)piperidin-4-yl]-4-methyl-1H-benzimidazol-2-yl]-1H-pyridin-2-one;4-[2-(4-chloropyrazol-1-yl)ethylamino]-3-[4-methyl-6-(1-methylpiperidin-4-yl)-1H-benzimidazol-2-yl]-1H-pyridin-2-one;4-[2-(4-chloropyrazol-1-yl)ethylamino]-3-(4-methyl-6-piperidin-4-yl-1H-benzimidazol-2-yl)-1H-pyridin-2-one?
The InChIKey is SPTPCFHNOADHDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H32ClN7O2.C25H30ClN7O2.C24H28ClN7O.C23H26ClN7O/c1-17-13-19(18-4-8-33(9-5-18)11-12-36-2)14-22-24(17)32-25(31-22)23-21(3-6-29-26(23)35)28-7-10-34-16-20(27)15-30-34;1-16-12-18(17-3-7-32(8-4-17)10-11-34)13-21-23(16)31-24(30-21)22-20(2-5-28-25(22)35)27-6-9-33-15-19(26)14-29-33;1-15-11-17(16-4-8-31(2)9-5-16)12-20-22(15)30-23(29-20)21-19(3-6-27-24(21)33)26-7-10-32-14-18(25)13-28-32;1-14-10-16(15-2-5-25-6-3-15)11-19-21(14)30-22(29-19)20-18(4-7-27-23(20)32)26-8-9-31-13-17(24)12-28-31/h3,6,13-16,18H,4-5,7-12H2,1-2H3,(H,31,32)(H2,28,29,35);2,5,12-15,17,34H,3-4,6-11H2,1H3,(H,30,31)(H2,27,28,35);3,6,11-14,16H,4-5,7-10H2,1-2H3,(H,29,30)(H2,26,27,33);4,7,10-13,15,25H,2-3,5-6,8-9H2,1H3,(H,29,30)(H2,26,27,32).
What are the key properties of 4-[2-(4-chloropyrazol-1-yl)ethylamino]-3-[6-[1-(2-hydroxyethyl)piperidin-4-yl]-4-methyl-1H-benzimidazol-2-yl]-1H-pyridin-2-one;4-[2-(4-chloropyrazol-1-yl)ethylamino]-3-[6-[1-(2-methoxyethyl)piperidin-4-yl]-4-methyl-1H-benzimidazol-2-yl]-1H-pyridin-2-one;4-[2-(4-chloropyrazol-1-yl)ethylamino]-3-[4-methyl-6-(1-methylpiperidin-4-yl)-1H-benzimidazol-2-yl]-1H-pyridin-2-one;4-[2-(4-chloropyrazol-1-yl)ethylamino]-3-(4-methyl-6-piperidin-4-yl-1H-benzimidazol-2-yl)-1H-pyridin-2-one?
4-[2-(4-chloropyrazol-1-yl)ethylamino]-3-[6-[1-(2-hydroxyethyl)piperidin-4-yl]-4-methyl-1H-benzimidazol-2-yl]-1H-pyridin-2-one;4-[2-(4-chloropyrazol-1-yl)ethylamino]-3-[6-[1-(2-methoxyethyl)piperidin-4-yl]-4-methyl-1H-benzimidazol-2-yl]-1H-pyridin-2-one;4-[2-(4-chloropyrazol-1-yl)ethylamino]-3-[4-methyl-6-(1-methylpiperidin-4-yl)-1H-benzimidazol-2-yl]-1H-pyridin-2-one;4-[2-(4-chloropyrazol-1-yl)ethylamino]-3-(4-methyl-6-piperidin-4-yl-1H-benzimidazol-2-yl)-1H-pyridin-2-one has a molecular weight of 1924.01 g/mol, XLogP of 15.03, 29 rotatable bonds, 14 hydrogen bond donors, and 26 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(4-chloropyrazol-1-yl)ethylamino]-3-[6-[1-(2-hydroxyethyl)piperidin-4-yl]-4-methyl-1H-benzimidazol-2-yl]-1H-pyridin-2-one;4-[2-(4-chloropyrazol-1-yl)ethylamino]-3-[6-[1-(2-methoxyethyl)piperidin-4-yl]-4-methyl-1H-benzimidazol-2-yl]-1H-pyridin-2-one;4-[2-(4-chloropyrazol-1-yl)ethylamino]-3-[4-methyl-6-(1-methylpiperidin-4-yl)-1H-benzimidazol-2-yl]-1H-pyridin-2-one;4-[2-(4-chloropyrazol-1-yl)ethylamino]-3-(4-methyl-6-piperidin-4-yl-1H-benzimidazol-2-yl)-1H-pyridin-2-one is sourced from PubChem (CID 160903049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).