1-[6-(1-benzyl-2-methyl-6-oxo-4-pyridinyl)-4-pyrazol-1-yl-1H-benzimidazol-2-yl]-3-ethylurea;1-ethyl-3-[6-[2-methyl-6-oxo-1-(pyridin-2-ylmethyl)-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

C72H72N22O6 — CID 157156213

IUPAC1-[6-(1-benzyl-2-methyl-6-oxo-4-pyridinyl)-4-pyrazol-1-yl-1H-benzimidazol-2-yl]-3-ethylurea;1-ethyl-3-[6-[2-methyl-6-oxo-1-(pyridin-2-ylmethyl)-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
SMILESCCNC(=O)Nc1nc2c(-n3cccn3)cc(-c3cc(C)n(Cc4ccccc4)c(=O)c3)cc2[nH]1.CCNC(=O)Nc1nc2c(-n3cccn3)cc(-c3cc(C)n(Cc4ccccn4)c(=O)c3)cc2[nH]1.CCNC(=O)Nc1nc2c(-n3cccn3)cc(-c3ccn(C(C)C)c(=O)c3)cc2[nH]1
InChIInChI=1S/C26H25N7O2.C25H24N8O2.C21H23N7O2/c1-3-27-26(35)31-25-29-21-13-20(14-22(24(21)30-25)33-11-7-10-28-33)19-12-17(2)32(23(34)15-19)16-18-8-5-4-6-9-18;1-3-26-25(35)31-24-29-20-12-18(13-21(23(20)30-24)33-10-6-9-28-33)17-11-16(2)32(22(34)14-17)15-19-7-4-5-8-27-19;1-4-22-21(30)26-20-24-16-10-15(14-6-9-27(13(2)3)18(29)12-14)11-17(19(16)25-20)28-8-5-7-23-28/h4-15H,3,16H2,1-2H3,(H3,27,29,30,31,35);4-14H,3,15H2,1-2H3,(H3,26,29,30,31,35);5-13H,4H2,1-3H3,(H3,22,24,25,26,30)
InChIKeyALVKMCLCUYQQRE-UHFFFAOYSA-N
MW1341.52 g/mol
LogP10.85
Rot. Bonds17

About 1-[6-(1-benzyl-2-methyl-6-oxo-4-pyridinyl)-4-pyrazol-1-yl-1H-benzimidazol-2-yl]-3-ethylurea;1-ethyl-3-[6-[2-methyl-6-oxo-1-(pyridin-2-ylmethyl)-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

1-[6-(1-benzyl-2-methyl-6-oxo-4-pyridinyl)-4-pyrazol-1-yl-1H-benzimidazol-2-yl]-3-ethylurea;1-ethyl-3-[6-[2-methyl-6-oxo-1-(pyridin-2-ylmethyl)-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 (PubChem CID 157156213) has the molecular formula C72H72N22O6 and a molecular weight of 1341.52 g/mol. Its IUPAC name is 1-[6-(1-benzyl-2-methyl-6-oxo-4-pyridinyl)-4-pyrazol-1-yl-1H-benzimidazol-2-yl]-3-ethylurea;1-ethyl-3-[6-[2-methyl-6-oxo-1-(pyridin-2-ylmethyl)-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.

Molecular Properties

Compound Name1-[6-(1-benzyl-2-methyl-6-oxo-4-pyridinyl)-4-pyrazol-1-yl-1H-benzimidazol-2-yl]-3-ethylurea;1-ethyl-3-[6-[2-methyl-6-oxo-1-(pyridin-2-ylmethyl)-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
PubChem CID157156213
Molecular FormulaC72H72N22O6
Molecular Weight1341.52 g/mol
Exact Mass1340.60
IUPAC Name1-[6-(1-benzyl-2-methyl-6-oxo-4-pyridinyl)-4-pyrazol-1-yl-1H-benzimidazol-2-yl]-3-ethylurea;1-ethyl-3-[6-[2-methyl-6-oxo-1-(pyridin-2-ylmethyl)-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
SMILESCCNC(=O)Nc1nc2c(-n3cccn3)cc(-c3cc(C)n(Cc4ccccc4)c(=O)c3)cc2[nH]1.CCNC(=O)Nc1nc2c(-n3cccn3)cc(-c3cc(C)n(Cc4ccccn4)c(=O)c3)cc2[nH]1.CCNC(=O)Nc1nc2c(-n3cccn3)cc(-c3ccn(C(C)C)c(=O)c3)cc2[nH]1
InChIInChI=1S/C26H25N7O2.C25H24N8O2.C21H23N7O2/c1-3-27-26(35)31-25-29-21-13-20(14-22(24(21)30-25)33-11-7-10-28-33)19-12-17(2)32(23(34)15-19)16-18-8-5-4-6-9-18;1-3-26-25(35)31-24-29-20-12-18(13-21(23(20)30-24)33-10-6-9-28-33)17-11-16(2)32(22(34)14-17)15-19-7-4-5-8-27-19;1-4-22-21(30)26-20-24-16-10-15(14-6-9-27(13(2)3)18(29)12-14)11-17(19(16)25-20)28-8-5-7-23-28/h4-15H,3,16H2,1-2H3,(H3,27,29,30,31,35);4-14H,3,15H2,1-2H3,(H3,26,29,30,31,35);5-13H,4H2,1-3H3,(H3,22,24,25,26,30)
InChIKeyALVKMCLCUYQQRE-UHFFFAOYSA-N
XLogP10.85
TPSA341.78 Ų
H-Bond Donors9
H-Bond Acceptors19
Rotatable Bonds17
Heavy Atoms100
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001341.52
LogP ≤ 510.85
H-Bond Donors ≤ 59
H-Bond Acceptors ≤ 1019

Analyze 1-[6-(1-benzyl-2-methyl-6-oxo-4-pyridinyl)-4-pyrazol-1-yl-1H-benzimidazol-2-yl]-3-ethylurea;1-ethyl-3-[6-[2-methyl-6-oxo-1-(pyridin-2-ylmethyl)-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 with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-ethyl-1-[7-(1H-pyrazol-1-yl)-5-(pyridin-3-yl)-1H-1,3-benzodiazol-2-yl]urea
CID 11314018
3-ethyl-1-[7-(1H-pyrazol-1-yl)-5-(pyrimidin-5-yl)-1H-1,3-benzodiazol-2-yl]urea
CID 11393909
N-{3-[5-(1-{1-[(1-Methyl-1H-pyrazol-4-yl)carbonyl]piperidin-4-yl}-1H-pyrazol-4-yl)-1H-benzimidazol-1-yl]phenyl}-N'-(2,2,2-trifluoroethyl)urea
CID 57387172
US10213427, Example 26
CID 57387175
N-[3-[5-(1-methylpyrazol-4-yl)benzimidazol-1-yl]-5-(1,2,4-triazol-1-yl)phenyl]acetamide
CID 89501391
US10894784, Example 123.02
CID 129245382
US10894784, Example 72.02
CID 129261319
US10894784, Example 89.02
CID 129261527
1-ethyl-3-(5-fluoro-4-pyrazol-1-yl-6-pyridin-3-yl-1H-benzimidazol-2-yl)urea
CID 11164422
US10894784, Example 72.03
CID 129261361
US10894784, Example 89.03
CID 129261660
US10894784, Example 123.03
CID 129261778

Frequently Asked Questions

What is the IUPAC name of 1-[6-(1-benzyl-2-methyl-6-oxo-4-pyridinyl)-4-pyrazol-1-yl-1H-benzimidazol-2-yl]-3-ethylurea;1-ethyl-3-[6-[2-methyl-6-oxo-1-(pyridin-2-ylmethyl)-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?
The IUPAC name of 1-[6-(1-benzyl-2-methyl-6-oxo-4-pyridinyl)-4-pyrazol-1-yl-1H-benzimidazol-2-yl]-3-ethylurea;1-ethyl-3-[6-[2-methyl-6-oxo-1-(pyridin-2-ylmethyl)-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 157156213) is 1-[6-(1-benzyl-2-methyl-6-oxo-4-pyridinyl)-4-pyrazol-1-yl-1H-benzimidazol-2-yl]-3-ethylurea;1-ethyl-3-[6-[2-methyl-6-oxo-1-(pyridin-2-ylmethyl)-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.
What is the SMILES notation for 1-[6-(1-benzyl-2-methyl-6-oxo-4-pyridinyl)-4-pyrazol-1-yl-1H-benzimidazol-2-yl]-3-ethylurea;1-ethyl-3-[6-[2-methyl-6-oxo-1-(pyridin-2-ylmethyl)-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?
The canonical SMILES for 1-[6-(1-benzyl-2-methyl-6-oxo-4-pyridinyl)-4-pyrazol-1-yl-1H-benzimidazol-2-yl]-3-ethylurea;1-ethyl-3-[6-[2-methyl-6-oxo-1-(pyridin-2-ylmethyl)-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 is CCNC(=O)Nc1nc2c(-n3cccn3)cc(-c3cc(C)n(Cc4ccccc4)c(=O)c3)cc2[nH]1.CCNC(=O)Nc1nc2c(-n3cccn3)cc(-c3cc(C)n(Cc4ccccn4)c(=O)c3)cc2[nH]1.CCNC(=O)Nc1nc2c(-n3cccn3)cc(-c3ccn(C(C)C)c(=O)c3)cc2[nH]1.
What is the InChIKey of 1-[6-(1-benzyl-2-methyl-6-oxo-4-pyridinyl)-4-pyrazol-1-yl-1H-benzimidazol-2-yl]-3-ethylurea;1-ethyl-3-[6-[2-methyl-6-oxo-1-(pyridin-2-ylmethyl)-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?
The InChIKey is ALVKMCLCUYQQRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25N7O2.C25H24N8O2.C21H23N7O2/c1-3-27-26(35)31-25-29-21-13-20(14-22(24(21)30-25)33-11-7-10-28-33)19-12-17(2)32(23(34)15-19)16-18-8-5-4-6-9-18;1-3-26-25(35)31-24-29-20-12-18(13-21(23(20)30-24)33-10-6-9-28-33)17-11-16(2)32(22(34)14-17)15-19-7-4-5-8-27-19;1-4-22-21(30)26-20-24-16-10-15(14-6-9-27(13(2)3)18(29)12-14)11-17(19(16)25-20)28-8-5-7-23-28/h4-15H,3,16H2,1-2H3,(H3,27,29,30,31,35);4-14H,3,15H2,1-2H3,(H3,26,29,30,31,35);5-13H,4H2,1-3H3,(H3,22,24,25,26,30).
What are the key properties of 1-[6-(1-benzyl-2-methyl-6-oxo-4-pyridinyl)-4-pyrazol-1-yl-1H-benzimidazol-2-yl]-3-ethylurea;1-ethyl-3-[6-[2-methyl-6-oxo-1-(pyridin-2-ylmethyl)-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?
1-[6-(1-benzyl-2-methyl-6-oxo-4-pyridinyl)-4-pyrazol-1-yl-1H-benzimidazol-2-yl]-3-ethylurea;1-ethyl-3-[6-[2-methyl-6-oxo-1-(pyridin-2-ylmethyl)-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 has a molecular weight of 1341.52 g/mol, XLogP of 10.85, 17 rotatable bonds, 9 hydrogen bond donors, and 19 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-(1-benzyl-2-methyl-6-oxo-4-pyridinyl)-4-pyrazol-1-yl-1H-benzimidazol-2-yl]-3-ethylurea;1-ethyl-3-[6-[2-methyl-6-oxo-1-(pyridin-2-ylmethyl)-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 is sourced from PubChem (CID 157156213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).