1-ethyl-3-[6-(5-ethyl-4-methyl-6-oxo-1H-pyridin-2-yl)-4-pyrazol-1-yl-1H-benzimidazol-2-yl]urea;1-ethyl-3-[6-(1-methyl-2-oxo-4-pyridinyl)-4-pyridin-2-yl-1H-benzimidazol-2-yl]urea;1-ethyl-3-[6-(5-oxo-2,3-dihydro-1H-indolizin-7-yl)-4-pyrazol-1-yl-1H-benzimidazol-2-yl]urea

C63H64N20O6 — CID 157319531

IUPAC1-ethyl-3-[6-(5-ethyl-4-methyl-6-oxo-1H-pyridin-2-yl)-4-pyrazol-1-yl-1H-benzimidazol-2-yl]urea;1-ethyl-3-[6-(1-methyl-2-oxo-4-pyridinyl)-4-pyridin-2-yl-1H-benzimidazol-2-yl]urea;1-ethyl-3-[6-(5-oxo-2,3-dihydro-1H-indolizin-7-yl)-4-pyrazol-1-yl-1H-benzimidazol-2-yl]urea
SMILESCCNC(=O)Nc1nc2c(-c3ccccn3)cc(-c3ccn(C)c(=O)c3)cc2[nH]1.CCNC(=O)Nc1nc2c(-n3cccn3)cc(-c3cc(C)c(CC)c(=O)[nH]3)cc2[nH]1.CCNC(=O)Nc1nc2c(-n3cccn3)cc(-c3cc4n(c(=O)c3)CCC4)cc2[nH]1
InChIInChI=1S/C21H21N7O2.C21H23N7O2.C21H20N6O2/c1-2-22-21(30)26-20-24-16-10-14(11-17(19(16)25-20)28-8-4-6-23-28)13-9-15-5-3-7-27(15)18(29)12-13;1-4-14-12(3)9-15(24-19(14)29)13-10-16-18(17(11-13)28-8-6-7-23-28)26-20(25-16)27-21(30)22-5-2;1-3-22-21(29)26-20-24-17-11-14(13-7-9-27(2)18(28)12-13)10-15(19(17)25-20)16-6-4-5-8-23-16/h4,6,8-12H,2-3,5,7H2,1H3,(H3,22,24,25,26,30);6-11H,4-5H2,1-3H3,(H,24,29)(H3,22,25,26,27,30);4-12H,3H2,1-2H3,(H3,22,24,25,26,29)
InChIKeyBDZONJYIDCMNBH-UHFFFAOYSA-N
MW1197.34 g/mol
LogP8.91
Rot. Bonds13

About 1-ethyl-3-[6-(5-ethyl-4-methyl-6-oxo-1H-pyridin-2-yl)-4-pyrazol-1-yl-1H-benzimidazol-2-yl]urea;1-ethyl-3-[6-(1-methyl-2-oxo-4-pyridinyl)-4-pyridin-2-yl-1H-benzimidazol-2-yl]urea;1-ethyl-3-[6-(5-oxo-2,3-dihydro-1H-indolizin-7-yl)-4-pyrazol-1-yl-1H-benzimidazol-2-yl]urea

1-ethyl-3-[6-(5-ethyl-4-methyl-6-oxo-1H-pyridin-2-yl)-4-pyrazol-1-yl-1H-benzimidazol-2-yl]urea;1-ethyl-3-[6-(1-methyl-2-oxo-4-pyridinyl)-4-pyridin-2-yl-1H-benzimidazol-2-yl]urea;1-ethyl-3-[6-(5-oxo-2,3-dihydro-1H-indolizin-7-yl)-4-pyrazol-1-yl-1H-benzimidazol-2-yl]urea (PubChem CID 157319531) has the molecular formula C63H64N20O6 and a molecular weight of 1197.34 g/mol. Its IUPAC name is 1-ethyl-3-[6-(5-ethyl-4-methyl-6-oxo-1H-pyridin-2-yl)-4-pyrazol-1-yl-1H-benzimidazol-2-yl]urea;1-ethyl-3-[6-(1-methyl-2-oxo-4-pyridinyl)-4-pyridin-2-yl-1H-benzimidazol-2-yl]urea;1-ethyl-3-[6-(5-oxo-2,3-dihydro-1H-indolizin-7-yl)-4-pyrazol-1-yl-1H-benzimidazol-2-yl]urea.

Molecular Properties

Compound Name1-ethyl-3-[6-(5-ethyl-4-methyl-6-oxo-1H-pyridin-2-yl)-4-pyrazol-1-yl-1H-benzimidazol-2-yl]urea;1-ethyl-3-[6-(1-methyl-2-oxo-4-pyridinyl)-4-pyridin-2-yl-1H-benzimidazol-2-yl]urea;1-ethyl-3-[6-(5-oxo-2,3-dihydro-1H-indolizin-7-yl)-4-pyrazol-1-yl-1H-benzimidazol-2-yl]urea
PubChem CID157319531
Molecular FormulaC63H64N20O6
Molecular Weight1197.34 g/mol
Exact Mass1196.53
IUPAC Name1-ethyl-3-[6-(5-ethyl-4-methyl-6-oxo-1H-pyridin-2-yl)-4-pyrazol-1-yl-1H-benzimidazol-2-yl]urea;1-ethyl-3-[6-(1-methyl-2-oxo-4-pyridinyl)-4-pyridin-2-yl-1H-benzimidazol-2-yl]urea;1-ethyl-3-[6-(5-oxo-2,3-dihydro-1H-indolizin-7-yl)-4-pyrazol-1-yl-1H-benzimidazol-2-yl]urea
SMILESCCNC(=O)Nc1nc2c(-c3ccccn3)cc(-c3ccn(C)c(=O)c3)cc2[nH]1.CCNC(=O)Nc1nc2c(-n3cccn3)cc(-c3cc(C)c(CC)c(=O)[nH]3)cc2[nH]1.CCNC(=O)Nc1nc2c(-n3cccn3)cc(-c3cc4n(c(=O)c3)CCC4)cc2[nH]1
InChIInChI=1S/C21H21N7O2.C21H23N7O2.C21H20N6O2/c1-2-22-21(30)26-20-24-16-10-14(11-17(19(16)25-20)28-8-4-6-23-28)13-9-15-5-3-7-27(15)18(29)12-13;1-4-14-12(3)9-15(24-19(14)29)13-10-16-18(17(11-13)28-8-6-7-23-28)26-20(25-16)27-21(30)22-5-2;1-3-22-21(29)26-20-24-17-11-14(13-7-9-27(2)18(28)12-13)10-15(19(17)25-20)16-6-4-5-8-23-16/h4,6,8-12H,2-3,5,7H2,1H3,(H3,22,24,25,26,30);6-11H,4-5H2,1-3H3,(H,24,29)(H3,22,25,26,27,30);4-12H,3H2,1-2H3,(H3,22,24,25,26,29)
InChIKeyBDZONJYIDCMNBH-UHFFFAOYSA-N
XLogP8.91
TPSA334.82 Ų
H-Bond Donors10
H-Bond Acceptors16
Rotatable Bonds13
Heavy Atoms89
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001197.34
LogP ≤ 58.91
H-Bond Donors ≤ 510
H-Bond Acceptors ≤ 1016

Analyze 1-ethyl-3-[6-(5-ethyl-4-methyl-6-oxo-1H-pyridin-2-yl)-4-pyrazol-1-yl-1H-benzimidazol-2-yl]urea;1-ethyl-3-[6-(1-methyl-2-oxo-4-pyridinyl)-4-pyridin-2-yl-1H-benzimidazol-2-yl]urea;1-ethyl-3-[6-(5-oxo-2,3-dihydro-1H-indolizin-7-yl)-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-[(1S)-2-(dimethylamino)-1-phenylethyl]-3-[6-[(4-pyridin-2-ylphenyl)methylamino]-1H-benzimidazol-2-yl]-1H-indazole-5-carboxamide
CID 136176136
3-methyl-N-[5-[3-[4-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl]-1H-indazol-5-yl]-3-pyridinyl]butanamide
CID 136509549
US11767323, Example 43
CID 162426595
US20240025884, Example 294
CID 170672756
US20240025884, Example 329
CID 170672771
US20240025884, Example 426
CID 170672791
US20240025884, Example 370
CID 170672794
US20240025884, Example 466
CID 170672810
US20240025884, Example 436
CID 170672819
US20240025884, Example 396
CID 170672825

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3-[6-(5-ethyl-4-methyl-6-oxo-1H-pyridin-2-yl)-4-pyrazol-1-yl-1H-benzimidazol-2-yl]urea;1-ethyl-3-[6-(1-methyl-2-oxo-4-pyridinyl)-4-pyridin-2-yl-1H-benzimidazol-2-yl]urea;1-ethyl-3-[6-(5-oxo-2,3-dihydro-1H-indolizin-7-yl)-4-pyrazol-1-yl-1H-benzimidazol-2-yl]urea?
The IUPAC name of 1-ethyl-3-[6-(5-ethyl-4-methyl-6-oxo-1H-pyridin-2-yl)-4-pyrazol-1-yl-1H-benzimidazol-2-yl]urea;1-ethyl-3-[6-(1-methyl-2-oxo-4-pyridinyl)-4-pyridin-2-yl-1H-benzimidazol-2-yl]urea;1-ethyl-3-[6-(5-oxo-2,3-dihydro-1H-indolizin-7-yl)-4-pyrazol-1-yl-1H-benzimidazol-2-yl]urea (CID 157319531) is 1-ethyl-3-[6-(5-ethyl-4-methyl-6-oxo-1H-pyridin-2-yl)-4-pyrazol-1-yl-1H-benzimidazol-2-yl]urea;1-ethyl-3-[6-(1-methyl-2-oxo-4-pyridinyl)-4-pyridin-2-yl-1H-benzimidazol-2-yl]urea;1-ethyl-3-[6-(5-oxo-2,3-dihydro-1H-indolizin-7-yl)-4-pyrazol-1-yl-1H-benzimidazol-2-yl]urea.
What is the SMILES notation for 1-ethyl-3-[6-(5-ethyl-4-methyl-6-oxo-1H-pyridin-2-yl)-4-pyrazol-1-yl-1H-benzimidazol-2-yl]urea;1-ethyl-3-[6-(1-methyl-2-oxo-4-pyridinyl)-4-pyridin-2-yl-1H-benzimidazol-2-yl]urea;1-ethyl-3-[6-(5-oxo-2,3-dihydro-1H-indolizin-7-yl)-4-pyrazol-1-yl-1H-benzimidazol-2-yl]urea?
The canonical SMILES for 1-ethyl-3-[6-(5-ethyl-4-methyl-6-oxo-1H-pyridin-2-yl)-4-pyrazol-1-yl-1H-benzimidazol-2-yl]urea;1-ethyl-3-[6-(1-methyl-2-oxo-4-pyridinyl)-4-pyridin-2-yl-1H-benzimidazol-2-yl]urea;1-ethyl-3-[6-(5-oxo-2,3-dihydro-1H-indolizin-7-yl)-4-pyrazol-1-yl-1H-benzimidazol-2-yl]urea is CCNC(=O)Nc1nc2c(-c3ccccn3)cc(-c3ccn(C)c(=O)c3)cc2[nH]1.CCNC(=O)Nc1nc2c(-n3cccn3)cc(-c3cc(C)c(CC)c(=O)[nH]3)cc2[nH]1.CCNC(=O)Nc1nc2c(-n3cccn3)cc(-c3cc4n(c(=O)c3)CCC4)cc2[nH]1.
What is the InChIKey of 1-ethyl-3-[6-(5-ethyl-4-methyl-6-oxo-1H-pyridin-2-yl)-4-pyrazol-1-yl-1H-benzimidazol-2-yl]urea;1-ethyl-3-[6-(1-methyl-2-oxo-4-pyridinyl)-4-pyridin-2-yl-1H-benzimidazol-2-yl]urea;1-ethyl-3-[6-(5-oxo-2,3-dihydro-1H-indolizin-7-yl)-4-pyrazol-1-yl-1H-benzimidazol-2-yl]urea?
The InChIKey is BDZONJYIDCMNBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N7O2.C21H23N7O2.C21H20N6O2/c1-2-22-21(30)26-20-24-16-10-14(11-17(19(16)25-20)28-8-4-6-23-28)13-9-15-5-3-7-27(15)18(29)12-13;1-4-14-12(3)9-15(24-19(14)29)13-10-16-18(17(11-13)28-8-6-7-23-28)26-20(25-16)27-21(30)22-5-2;1-3-22-21(29)26-20-24-17-11-14(13-7-9-27(2)18(28)12-13)10-15(19(17)25-20)16-6-4-5-8-23-16/h4,6,8-12H,2-3,5,7H2,1H3,(H3,22,24,25,26,30);6-11H,4-5H2,1-3H3,(H,24,29)(H3,22,25,26,27,30);4-12H,3H2,1-2H3,(H3,22,24,25,26,29).
What are the key properties of 1-ethyl-3-[6-(5-ethyl-4-methyl-6-oxo-1H-pyridin-2-yl)-4-pyrazol-1-yl-1H-benzimidazol-2-yl]urea;1-ethyl-3-[6-(1-methyl-2-oxo-4-pyridinyl)-4-pyridin-2-yl-1H-benzimidazol-2-yl]urea;1-ethyl-3-[6-(5-oxo-2,3-dihydro-1H-indolizin-7-yl)-4-pyrazol-1-yl-1H-benzimidazol-2-yl]urea?
1-ethyl-3-[6-(5-ethyl-4-methyl-6-oxo-1H-pyridin-2-yl)-4-pyrazol-1-yl-1H-benzimidazol-2-yl]urea;1-ethyl-3-[6-(1-methyl-2-oxo-4-pyridinyl)-4-pyridin-2-yl-1H-benzimidazol-2-yl]urea;1-ethyl-3-[6-(5-oxo-2,3-dihydro-1H-indolizin-7-yl)-4-pyrazol-1-yl-1H-benzimidazol-2-yl]urea has a molecular weight of 1197.34 g/mol, XLogP of 8.91, 13 rotatable bonds, 10 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3-[6-(5-ethyl-4-methyl-6-oxo-1H-pyridin-2-yl)-4-pyrazol-1-yl-1H-benzimidazol-2-yl]urea;1-ethyl-3-[6-(1-methyl-2-oxo-4-pyridinyl)-4-pyridin-2-yl-1H-benzimidazol-2-yl]urea;1-ethyl-3-[6-(5-oxo-2,3-dihydro-1H-indolizin-7-yl)-4-pyrazol-1-yl-1H-benzimidazol-2-yl]urea is sourced from PubChem (CID 157319531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).