1-ethyl-3-[6-(1-ethyl-2-methyl-6-oxo-4-pyridinyl)-4-pyrazol-1-yl-1H-benzimidazol-2-yl]urea;1-ethyl-3-[4-(6-methoxy-2-pyridinyl)-6-pyridin-3-yl-1H-benzimidazol-2-yl]urea;1-ethyl-3-[4-(2-methyl-1,3-thiazol-4-yl)-6-pyridin-3-yl-1H-benzimidazol-2-yl]urea;ethyl N-(4-pyrazol-1-yl-6-pyridin-3-yl-1H-benzimidazol-2-yl)carbamate

C79H77N25O7S — CID 157331620

IUPAC1-ethyl-3-[6-(1-ethyl-2-methyl-6-oxo-4-pyridinyl)-4-pyrazol-1-yl-1H-benzimidazol-2-yl]urea;1-ethyl-3-[4-(6-methoxy-2-pyridinyl)-6-pyridin-3-yl-1H-benzimidazol-2-yl]urea;1-ethyl-3-[4-(2-methyl-1,3-thiazol-4-yl)-6-pyridin-3-yl-1H-benzimidazol-2-yl]urea;ethyl N-(4-pyrazol-1-yl-6-pyridin-3-yl-1H-benzimidazol-2-yl)carbamate
SMILESCCNC(=O)Nc1nc2c(-c3cccc(OC)n3)cc(-c3cccnc3)cc2[nH]1.CCNC(=O)Nc1nc2c(-c3csc(C)n3)cc(-c3cccnc3)cc2[nH]1.CCNC(=O)Nc1nc2c(-n3cccn3)cc(-c3cc(C)n(CC)c(=O)c3)cc2[nH]1.CCOC(=O)Nc1nc2c(-n3cccn3)cc(-c3cccnc3)cc2[nH]1
InChIInChI=1S/C21H23N7O2.C21H20N6O2.C19H18N6OS.C18H16N6O2/c1-4-22-21(30)26-20-24-16-10-15(14-9-13(3)27(5-2)18(29)12-14)11-17(19(16)25-20)28-8-6-7-23-28;1-3-23-21(28)27-20-25-17-11-14(13-6-5-9-22-12-13)10-15(19(17)26-20)16-7-4-8-18(24-16)29-2;1-3-21-19(26)25-18-23-15-8-13(12-5-4-6-20-9-12)7-14(17(15)24-18)16-10-27-11(2)22-16;1-2-26-18(25)23-17-21-14-9-13(12-5-3-6-19-11-12)10-15(16(14)22-17)24-8-4-7-20-24/h6-12H,4-5H2,1-3H3,(H3,22,24,25,26,30);4-12H,3H2,1-2H3,(H3,23,25,26,27,28);4-10H,3H2,1-2H3,(H3,21,23,24,25,26);3-11H,2H2,1H3,(H2,21,22,23,25)
InChIKeyBFIUNYVAEVJVJN-UHFFFAOYSA-N
MW1520.72 g/mol
LogP14.46
Rot. Bonds18

About 1-ethyl-3-[6-(1-ethyl-2-methyl-6-oxo-4-pyridinyl)-4-pyrazol-1-yl-1H-benzimidazol-2-yl]urea;1-ethyl-3-[4-(6-methoxy-2-pyridinyl)-6-pyridin-3-yl-1H-benzimidazol-2-yl]urea;1-ethyl-3-[4-(2-methyl-1,3-thiazol-4-yl)-6-pyridin-3-yl-1H-benzimidazol-2-yl]urea;ethyl N-(4-pyrazol-1-yl-6-pyridin-3-yl-1H-benzimidazol-2-yl)carbamate

1-ethyl-3-[6-(1-ethyl-2-methyl-6-oxo-4-pyridinyl)-4-pyrazol-1-yl-1H-benzimidazol-2-yl]urea;1-ethyl-3-[4-(6-methoxy-2-pyridinyl)-6-pyridin-3-yl-1H-benzimidazol-2-yl]urea;1-ethyl-3-[4-(2-methyl-1,3-thiazol-4-yl)-6-pyridin-3-yl-1H-benzimidazol-2-yl]urea;ethyl N-(4-pyrazol-1-yl-6-pyridin-3-yl-1H-benzimidazol-2-yl)carbamate (PubChem CID 157331620) has the molecular formula C79H77N25O7S and a molecular weight of 1520.72 g/mol. Its IUPAC name is 1-ethyl-3-[6-(1-ethyl-2-methyl-6-oxo-4-pyridinyl)-4-pyrazol-1-yl-1H-benzimidazol-2-yl]urea;1-ethyl-3-[4-(6-methoxy-2-pyridinyl)-6-pyridin-3-yl-1H-benzimidazol-2-yl]urea;1-ethyl-3-[4-(2-methyl-1,3-thiazol-4-yl)-6-pyridin-3-yl-1H-benzimidazol-2-yl]urea;ethyl N-(4-pyrazol-1-yl-6-pyridin-3-yl-1H-benzimidazol-2-yl)carbamate.

Molecular Properties

Compound Name1-ethyl-3-[6-(1-ethyl-2-methyl-6-oxo-4-pyridinyl)-4-pyrazol-1-yl-1H-benzimidazol-2-yl]urea;1-ethyl-3-[4-(6-methoxy-2-pyridinyl)-6-pyridin-3-yl-1H-benzimidazol-2-yl]urea;1-ethyl-3-[4-(2-methyl-1,3-thiazol-4-yl)-6-pyridin-3-yl-1H-benzimidazol-2-yl]urea;ethyl N-(4-pyrazol-1-yl-6-pyridin-3-yl-1H-benzimidazol-2-yl)carbamate
PubChem CID157331620
Molecular FormulaC79H77N25O7S
Molecular Weight1520.72 g/mol
Exact Mass1519.62
IUPAC Name1-ethyl-3-[6-(1-ethyl-2-methyl-6-oxo-4-pyridinyl)-4-pyrazol-1-yl-1H-benzimidazol-2-yl]urea;1-ethyl-3-[4-(6-methoxy-2-pyridinyl)-6-pyridin-3-yl-1H-benzimidazol-2-yl]urea;1-ethyl-3-[4-(2-methyl-1,3-thiazol-4-yl)-6-pyridin-3-yl-1H-benzimidazol-2-yl]urea;ethyl N-(4-pyrazol-1-yl-6-pyridin-3-yl-1H-benzimidazol-2-yl)carbamate
SMILESCCNC(=O)Nc1nc2c(-c3cccc(OC)n3)cc(-c3cccnc3)cc2[nH]1.CCNC(=O)Nc1nc2c(-c3csc(C)n3)cc(-c3cccnc3)cc2[nH]1.CCNC(=O)Nc1nc2c(-n3cccn3)cc(-c3cc(C)n(CC)c(=O)c3)cc2[nH]1.CCOC(=O)Nc1nc2c(-n3cccn3)cc(-c3cccnc3)cc2[nH]1
InChIInChI=1S/C21H23N7O2.C21H20N6O2.C19H18N6OS.C18H16N6O2/c1-4-22-21(30)26-20-24-16-10-15(14-9-13(3)27(5-2)18(29)12-14)11-17(19(16)25-20)28-8-6-7-23-28;1-3-23-21(28)27-20-25-17-11-14(13-6-5-9-22-12-13)10-15(19(17)26-20)16-7-4-8-18(24-16)29-2;1-3-21-19(26)25-18-23-15-8-13(12-5-4-6-20-9-12)7-14(17(15)24-18)16-10-27-11(2)22-16;1-2-26-18(25)23-17-21-14-9-13(12-5-3-6-19-11-12)10-15(16(14)22-17)24-8-4-7-20-24/h6-12H,4-5H2,1-3H3,(H3,22,24,25,26,30);4-12H,3H2,1-2H3,(H3,23,25,26,27,28);4-10H,3H2,1-2H3,(H3,21,23,24,25,26);3-11H,2H2,1H3,(H2,21,22,23,25)
InChIKeyBFIUNYVAEVJVJN-UHFFFAOYSA-N
XLogP14.46
TPSA407.76 Ų
H-Bond Donors11
H-Bond Acceptors22
Rotatable Bonds18
Heavy Atoms112
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001520.72
LogP ≤ 514.46
H-Bond Donors ≤ 511
H-Bond Acceptors ≤ 1022

Analyze 1-ethyl-3-[6-(1-ethyl-2-methyl-6-oxo-4-pyridinyl)-4-pyrazol-1-yl-1H-benzimidazol-2-yl]urea;1-ethyl-3-[4-(6-methoxy-2-pyridinyl)-6-pyridin-3-yl-1H-benzimidazol-2-yl]urea;1-ethyl-3-[4-(2-methyl-1,3-thiazol-4-yl)-6-pyridin-3-yl-1H-benzimidazol-2-yl]urea;ethyl N-(4-pyrazol-1-yl-6-pyridin-3-yl-1H-benzimidazol-2-yl)carbamate with MolForge

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Launch Full Analysis

Related Compounds

tert-butyl 4-[4-[3-(2-amino-1,3-thiazol-4-yl)anilino]-7H-pyrrolo[2,3-d]pyrimidin-6-yl]-3,6-dihydro-2H-pyridine-1-carboxylate;tert-butyl 4-[4-[4-methoxy-3-(1H-pyrrol-2-yl)anilino]-7H-pyrrolo[2,3-d]pyrimidin-6-yl]-3,6-dihydro-2H-pyridine-1-carboxylate;tert-butyl 4-[4-[3-(4-methylpiperazin-1-yl)anilino]-7H-pyrrolo[2,3-d]pyrimidin-6-yl]-3,6-dihydro-2H-pyridine-1-carboxylate;tert-butyl 4-[4-[3-(1-methylpiperidin-4-yl)anilino]-7H-pyrrolo[2,3-d]pyrimidin-6-yl]-3,6-dihydro-2H-pyridine-1-carboxylate;tert-butyl 4-[4-(3-piperidin-4-ylanilino)-7H-pyrrolo[2,3-d]pyrimidin-6-yl]-3,6-dihydro-2H-pyridine-1-carboxylate;tert-butyl 4-[4-[3-(1H-pyrazol-4-yl)anilino]-7H-pyrrolo[2,3-d]pyrimidin-6-yl]-3,6-dihydro-2H-pyridine-1-carboxylate
CID 157119383
1-ethyl-3-[4-(4-methoxy-2-pyridinyl)-6-pyridin-3-yl-1H-benzimidazol-2-yl]urea;1-ethyl-3-[4-(6-methoxy-2-pyridinyl)-6-pyrimidin-5-yl-1H-benzimidazol-2-yl]urea;1-ethyl-3-[4-(5-methyl-1H-pyrazol-3-yl)-6-pyridin-3-yl-1H-benzimidazol-2-yl]urea;1-ethyl-3-[4-(4-methyl-2-pyridinyl)-6-[2-oxo-1-(2-oxobutyl)-4-pyridinyl]-1H-benzimidazol-2-yl]urea
CID 157840908
1-ethyl-3-[6-(1-ethyl-2-methyl-6-oxo-4-pyridinyl)-4-pyrazol-1-yl-1H-benzimidazol-2-yl]urea;1-ethyl-3-[4-(6-methoxy-2-pyridinyl)-6-pyridin-3-yl-1H-benzimidazol-2-yl]urea;1-ethyl-3-[4-(2-methyl-1,3-thiazol-4-yl)-6-pyridin-3-yl-1H-benzimidazol-2-yl]urea
CID 157939039
1,1-diethyl-3-(4-pyrazol-1-yl-6-pyridin-3-yl-1H-benzimidazol-2-yl)urea;1-[6-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)-4-pyrazol-1-yl-1H-benzimidazol-2-yl]-3-ethylurea;1-ethyl-3-[6-[2-oxo-1-(pyridin-2-ylmethyl)-4-pyridinyl]-4-pyrazol-1-yl-1H-benzimidazol-2-yl]urea;1-ethyl-3-[6-pyridin-3-yl-4-(1,3-thiazol-2-yl)-1H-benzimidazol-2-yl]urea
CID 158331347
1-[6-(2-aminopyrimidin-5-yl)-4-pyrazol-1-yl-1H-benzimidazol-2-yl]-3-ethylurea;1-[6-(6-ethoxy-3-pyridinyl)-4-pyrazol-1-yl-1H-benzimidazol-2-yl]-3-ethylurea;1-ethyl-3-[6-[6-(piperidin-1-ylmethyl)-3-pyridinyl]-4-pyrazol-1-yl-1H-benzimidazol-2-yl]urea
CID 158995084
1-[6-(2-aminopyrimidin-5-yl)-4-pyridin-2-yl-1H-benzimidazol-2-yl]-3-ethylurea;1-[6-(2-aminopyrimidin-5-yl)-4-(1,3-thiazol-2-yl)-1H-benzimidazol-2-yl]-3-ethylurea;1-ethyl-3-[6-[6-(morpholin-4-ylmethyl)-3-pyridinyl]-4-pyrazol-1-yl-1H-benzimidazol-2-yl]urea;1-ethyl-3-(4-pyridin-2-yl-6-pyridin-3-yl-1H-benzimidazol-2-yl)urea
CID 159415879
1-ethyl-3-(5-fluoro-4-pyrazol-1-yl-6-pyridin-3-yl-1H-benzimidazol-2-yl)urea;1-ethyl-3-[6-(6-methoxy-3-pyridinyl)-4-pyrazol-1-yl-1H-benzimidazol-2-yl]urea;1-ethyl-3-[6-(2-methoxypyrimidin-5-yl)-4-pyrazol-1-yl-1H-benzimidazol-2-yl]urea
CID 159462667
1-ethyl-3-[6-(1-methyl-2-methylsulfanyl-6-oxopyrimidin-4-yl)-4-pyrazol-1-yl-1H-benzimidazol-2-yl]urea;1-ethyl-3-[6-pyridin-3-yl-4-(5,6,7,8-tetrahydroimidazo[1,2-a]pyrimidin-2-yl)-1H-benzimidazol-2-yl]urea;1-ethyl-3-[6-pyridin-3-yl-4-(1,3-thiazol-2-yl)-1H-benzimidazol-2-yl]urea
CID 159588691
1-[6-(2-aminopyrimidin-5-yl)-4-(6-methoxy-2-pyridinyl)-1H-benzimidazol-2-yl]-3-ethylurea;1-[6-(1-benzyl-2-methyl-6-oxo-4-pyridinyl)-4-pyrazol-1-yl-1H-benzimidazol-2-yl]-3-ethylurea;ethyl N-[6-(2-methyl-3-oxo-2H-pyridin-5-yl)-4-pyrazol-1-yl-1H-benzimidazol-2-yl]carbamate
CID 160238906
1-[6-(2-aminopyrimidin-5-yl)-5-fluoro-4-pyrazol-1-yl-1H-benzimidazol-2-yl]-3-ethylurea;1-[6-(2-aminopyrimidin-5-yl)-4-(6-methoxy-2-pyridinyl)-1H-benzimidazol-2-yl]-3-ethylurea;ethyl N-[6-(1-methyl-2-oxo-4-pyridinyl)-4-pyrazol-1-yl-1H-benzimidazol-2-yl]carbamate
CID 160548054
1-[6-(2-aminopyrimidin-5-yl)-4-(6-methoxy-2-pyridinyl)-1H-benzimidazol-2-yl]-3-ethylurea;1-[6-(1-benzyl-2-methyl-6-oxo-4-pyridinyl)-4-pyrazol-1-yl-1H-benzimidazol-2-yl]-3-ethylurea;1-ethyl-3-[6-(1-methyl-2-oxo-4-pyridinyl)-4-pyrazol-1-yl-1H-benzimidazol-2-yl]urea;1-ethyl-3-[6-(2-oxo-1-propan-2-yl-4-pyridinyl)-4-pyrazol-1-yl-1H-benzimidazol-2-yl]urea
CID 160623798
1-[6-(2-aminopyrimidin-5-yl)-4-pyrazol-1-yl-1H-benzimidazol-2-yl]-3-ethylurea;1-[6-(6-ethoxy-3-pyridinyl)-4-pyrazol-1-yl-1H-benzimidazol-2-yl]-3-ethylurea;1-ethyl-3-[6-[6-(piperidin-1-ylmethyl)-3-pyridinyl]-4-pyrazol-1-yl-1H-benzimidazol-2-yl]urea;1-ethyl-3-(4-pyrazol-1-yl-6-pyridin-3-yl-1H-benzimidazol-2-yl)urea
CID 160723476

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3-[6-(1-ethyl-2-methyl-6-oxo-4-pyridinyl)-4-pyrazol-1-yl-1H-benzimidazol-2-yl]urea;1-ethyl-3-[4-(6-methoxy-2-pyridinyl)-6-pyridin-3-yl-1H-benzimidazol-2-yl]urea;1-ethyl-3-[4-(2-methyl-1,3-thiazol-4-yl)-6-pyridin-3-yl-1H-benzimidazol-2-yl]urea;ethyl N-(4-pyrazol-1-yl-6-pyridin-3-yl-1H-benzimidazol-2-yl)carbamate?
The IUPAC name of 1-ethyl-3-[6-(1-ethyl-2-methyl-6-oxo-4-pyridinyl)-4-pyrazol-1-yl-1H-benzimidazol-2-yl]urea;1-ethyl-3-[4-(6-methoxy-2-pyridinyl)-6-pyridin-3-yl-1H-benzimidazol-2-yl]urea;1-ethyl-3-[4-(2-methyl-1,3-thiazol-4-yl)-6-pyridin-3-yl-1H-benzimidazol-2-yl]urea;ethyl N-(4-pyrazol-1-yl-6-pyridin-3-yl-1H-benzimidazol-2-yl)carbamate (CID 157331620) is 1-ethyl-3-[6-(1-ethyl-2-methyl-6-oxo-4-pyridinyl)-4-pyrazol-1-yl-1H-benzimidazol-2-yl]urea;1-ethyl-3-[4-(6-methoxy-2-pyridinyl)-6-pyridin-3-yl-1H-benzimidazol-2-yl]urea;1-ethyl-3-[4-(2-methyl-1,3-thiazol-4-yl)-6-pyridin-3-yl-1H-benzimidazol-2-yl]urea;ethyl N-(4-pyrazol-1-yl-6-pyridin-3-yl-1H-benzimidazol-2-yl)carbamate.
What is the SMILES notation for 1-ethyl-3-[6-(1-ethyl-2-methyl-6-oxo-4-pyridinyl)-4-pyrazol-1-yl-1H-benzimidazol-2-yl]urea;1-ethyl-3-[4-(6-methoxy-2-pyridinyl)-6-pyridin-3-yl-1H-benzimidazol-2-yl]urea;1-ethyl-3-[4-(2-methyl-1,3-thiazol-4-yl)-6-pyridin-3-yl-1H-benzimidazol-2-yl]urea;ethyl N-(4-pyrazol-1-yl-6-pyridin-3-yl-1H-benzimidazol-2-yl)carbamate?
The canonical SMILES for 1-ethyl-3-[6-(1-ethyl-2-methyl-6-oxo-4-pyridinyl)-4-pyrazol-1-yl-1H-benzimidazol-2-yl]urea;1-ethyl-3-[4-(6-methoxy-2-pyridinyl)-6-pyridin-3-yl-1H-benzimidazol-2-yl]urea;1-ethyl-3-[4-(2-methyl-1,3-thiazol-4-yl)-6-pyridin-3-yl-1H-benzimidazol-2-yl]urea;ethyl N-(4-pyrazol-1-yl-6-pyridin-3-yl-1H-benzimidazol-2-yl)carbamate is CCNC(=O)Nc1nc2c(-c3cccc(OC)n3)cc(-c3cccnc3)cc2[nH]1.CCNC(=O)Nc1nc2c(-c3csc(C)n3)cc(-c3cccnc3)cc2[nH]1.CCNC(=O)Nc1nc2c(-n3cccn3)cc(-c3cc(C)n(CC)c(=O)c3)cc2[nH]1.CCOC(=O)Nc1nc2c(-n3cccn3)cc(-c3cccnc3)cc2[nH]1.
What is the InChIKey of 1-ethyl-3-[6-(1-ethyl-2-methyl-6-oxo-4-pyridinyl)-4-pyrazol-1-yl-1H-benzimidazol-2-yl]urea;1-ethyl-3-[4-(6-methoxy-2-pyridinyl)-6-pyridin-3-yl-1H-benzimidazol-2-yl]urea;1-ethyl-3-[4-(2-methyl-1,3-thiazol-4-yl)-6-pyridin-3-yl-1H-benzimidazol-2-yl]urea;ethyl N-(4-pyrazol-1-yl-6-pyridin-3-yl-1H-benzimidazol-2-yl)carbamate?
The InChIKey is BFIUNYVAEVJVJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N7O2.C21H20N6O2.C19H18N6OS.C18H16N6O2/c1-4-22-21(30)26-20-24-16-10-15(14-9-13(3)27(5-2)18(29)12-14)11-17(19(16)25-20)28-8-6-7-23-28;1-3-23-21(28)27-20-25-17-11-14(13-6-5-9-22-12-13)10-15(19(17)26-20)16-7-4-8-18(24-16)29-2;1-3-21-19(26)25-18-23-15-8-13(12-5-4-6-20-9-12)7-14(17(15)24-18)16-10-27-11(2)22-16;1-2-26-18(25)23-17-21-14-9-13(12-5-3-6-19-11-12)10-15(16(14)22-17)24-8-4-7-20-24/h6-12H,4-5H2,1-3H3,(H3,22,24,25,26,30);4-12H,3H2,1-2H3,(H3,23,25,26,27,28);4-10H,3H2,1-2H3,(H3,21,23,24,25,26);3-11H,2H2,1H3,(H2,21,22,23,25).
What are the key properties of 1-ethyl-3-[6-(1-ethyl-2-methyl-6-oxo-4-pyridinyl)-4-pyrazol-1-yl-1H-benzimidazol-2-yl]urea;1-ethyl-3-[4-(6-methoxy-2-pyridinyl)-6-pyridin-3-yl-1H-benzimidazol-2-yl]urea;1-ethyl-3-[4-(2-methyl-1,3-thiazol-4-yl)-6-pyridin-3-yl-1H-benzimidazol-2-yl]urea;ethyl N-(4-pyrazol-1-yl-6-pyridin-3-yl-1H-benzimidazol-2-yl)carbamate?
1-ethyl-3-[6-(1-ethyl-2-methyl-6-oxo-4-pyridinyl)-4-pyrazol-1-yl-1H-benzimidazol-2-yl]urea;1-ethyl-3-[4-(6-methoxy-2-pyridinyl)-6-pyridin-3-yl-1H-benzimidazol-2-yl]urea;1-ethyl-3-[4-(2-methyl-1,3-thiazol-4-yl)-6-pyridin-3-yl-1H-benzimidazol-2-yl]urea;ethyl N-(4-pyrazol-1-yl-6-pyridin-3-yl-1H-benzimidazol-2-yl)carbamate has a molecular weight of 1520.72 g/mol, XLogP of 14.46, 18 rotatable bonds, 11 hydrogen bond donors, and 22 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3-[6-(1-ethyl-2-methyl-6-oxo-4-pyridinyl)-4-pyrazol-1-yl-1H-benzimidazol-2-yl]urea;1-ethyl-3-[4-(6-methoxy-2-pyridinyl)-6-pyridin-3-yl-1H-benzimidazol-2-yl]urea;1-ethyl-3-[4-(2-methyl-1,3-thiazol-4-yl)-6-pyridin-3-yl-1H-benzimidazol-2-yl]urea;ethyl N-(4-pyrazol-1-yl-6-pyridin-3-yl-1H-benzimidazol-2-yl)carbamate is sourced from PubChem (CID 157331620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).