1-ethyl-3-[6-[1-(2-morpholin-4-ylethyl)-2-oxo-4-pyridinyl]-4-pyrazol-1-yl-1H-benzimidazol-2-yl]urea;1-ethyl-3-[6-[2-oxo-1-(oxolan-2-ylmethyl)-4-pyridinyl]-4-pyrazol-1-yl-1H-benzimidazol-2-yl]urea;1-ethyl-3-[6-(2-oxo-1-propyl-4-pyridinyl)-4-pyrazol-1-yl-1H-benzimidazol-2-yl]urea

C68H76N22O8 — CID 157499619

IUPAC1-ethyl-3-[6-[1-(2-morpholin-4-ylethyl)-2-oxo-4-pyridinyl]-4-pyrazol-1-yl-1H-benzimidazol-2-yl]urea;1-ethyl-3-[6-[2-oxo-1-(oxolan-2-ylmethyl)-4-pyridinyl]-4-pyrazol-1-yl-1H-benzimidazol-2-yl]urea;1-ethyl-3-[6-(2-oxo-1-propyl-4-pyridinyl)-4-pyrazol-1-yl-1H-benzimidazol-2-yl]urea
SMILESCCCn1ccc(-c2cc(-n3cccn3)c3nc(NC(=O)NCC)[nH]c3c2)cc1=O.CCNC(=O)Nc1nc2c(-n3cccn3)cc(-c3ccn(CC4CCCO4)c(=O)c3)cc2[nH]1.CCNC(=O)Nc1nc2c(-n3cccn3)cc(-c3ccn(CCN4CCOCC4)c(=O)c3)cc2[nH]1
InChIInChI=1S/C24H28N8O3.C23H25N7O3.C21H23N7O2/c1-2-25-24(34)29-23-27-19-14-18(15-20(22(19)28-23)32-6-3-5-26-32)17-4-7-31(21(33)16-17)9-8-30-10-12-35-13-11-30;1-2-24-23(32)28-22-26-18-11-16(12-19(21(18)27-22)30-8-4-7-25-30)15-6-9-29(20(31)13-15)14-17-5-3-10-33-17;1-3-8-27-10-6-14(13-18(27)29)15-11-16-19(17(12-15)28-9-5-7-23-28)25-20(24-16)26-21(30)22-4-2/h3-7,14-16H,2,8-13H2,1H3,(H3,25,27,28,29,34);4,6-9,11-13,17H,2-3,5,10,14H2,1H3,(H3,24,26,27,28,32);5-7,9-13H,3-4,8H2,1-2H3,(H3,22,24,25,26,30)
InChIKeyBYGFJVPAWNWSEU-UHFFFAOYSA-N
MW1329.50 g/mol
LogP8.08
Rot. Bonds19

About 1-ethyl-3-[6-[1-(2-morpholin-4-ylethyl)-2-oxo-4-pyridinyl]-4-pyrazol-1-yl-1H-benzimidazol-2-yl]urea;1-ethyl-3-[6-[2-oxo-1-(oxolan-2-ylmethyl)-4-pyridinyl]-4-pyrazol-1-yl-1H-benzimidazol-2-yl]urea;1-ethyl-3-[6-(2-oxo-1-propyl-4-pyridinyl)-4-pyrazol-1-yl-1H-benzimidazol-2-yl]urea

1-ethyl-3-[6-[1-(2-morpholin-4-ylethyl)-2-oxo-4-pyridinyl]-4-pyrazol-1-yl-1H-benzimidazol-2-yl]urea;1-ethyl-3-[6-[2-oxo-1-(oxolan-2-ylmethyl)-4-pyridinyl]-4-pyrazol-1-yl-1H-benzimidazol-2-yl]urea;1-ethyl-3-[6-(2-oxo-1-propyl-4-pyridinyl)-4-pyrazol-1-yl-1H-benzimidazol-2-yl]urea (PubChem CID 157499619) has the molecular formula C68H76N22O8 and a molecular weight of 1329.50 g/mol. Its IUPAC name is 1-ethyl-3-[6-[1-(2-morpholin-4-ylethyl)-2-oxo-4-pyridinyl]-4-pyrazol-1-yl-1H-benzimidazol-2-yl]urea;1-ethyl-3-[6-[2-oxo-1-(oxolan-2-ylmethyl)-4-pyridinyl]-4-pyrazol-1-yl-1H-benzimidazol-2-yl]urea;1-ethyl-3-[6-(2-oxo-1-propyl-4-pyridinyl)-4-pyrazol-1-yl-1H-benzimidazol-2-yl]urea.

Molecular Properties

Compound Name1-ethyl-3-[6-[1-(2-morpholin-4-ylethyl)-2-oxo-4-pyridinyl]-4-pyrazol-1-yl-1H-benzimidazol-2-yl]urea;1-ethyl-3-[6-[2-oxo-1-(oxolan-2-ylmethyl)-4-pyridinyl]-4-pyrazol-1-yl-1H-benzimidazol-2-yl]urea;1-ethyl-3-[6-(2-oxo-1-propyl-4-pyridinyl)-4-pyrazol-1-yl-1H-benzimidazol-2-yl]urea
PubChem CID157499619
Molecular FormulaC68H76N22O8
Molecular Weight1329.50 g/mol
Exact Mass1328.62
IUPAC Name1-ethyl-3-[6-[1-(2-morpholin-4-ylethyl)-2-oxo-4-pyridinyl]-4-pyrazol-1-yl-1H-benzimidazol-2-yl]urea;1-ethyl-3-[6-[2-oxo-1-(oxolan-2-ylmethyl)-4-pyridinyl]-4-pyrazol-1-yl-1H-benzimidazol-2-yl]urea;1-ethyl-3-[6-(2-oxo-1-propyl-4-pyridinyl)-4-pyrazol-1-yl-1H-benzimidazol-2-yl]urea
SMILESCCCn1ccc(-c2cc(-n3cccn3)c3nc(NC(=O)NCC)[nH]c3c2)cc1=O.CCNC(=O)Nc1nc2c(-n3cccn3)cc(-c3ccn(CC4CCCO4)c(=O)c3)cc2[nH]1.CCNC(=O)Nc1nc2c(-n3cccn3)cc(-c3ccn(CCN4CCOCC4)c(=O)c3)cc2[nH]1
InChIInChI=1S/C24H28N8O3.C23H25N7O3.C21H23N7O2/c1-2-25-24(34)29-23-27-19-14-18(15-20(22(19)28-23)32-6-3-5-26-32)17-4-7-31(21(33)16-17)9-8-30-10-12-35-13-11-30;1-2-24-23(32)28-22-26-18-11-16(12-19(21(18)27-22)30-8-4-7-25-30)15-6-9-29(20(31)13-15)14-17-5-3-10-33-17;1-3-8-27-10-6-14(13-18(27)29)15-11-16-19(17(12-15)28-9-5-7-23-28)25-20(24-16)26-21(30)22-4-2/h3-7,14-16H,2,8-13H2,1H3,(H3,25,27,28,29,34);4,6-9,11-13,17H,2-3,5,10,14H2,1H3,(H3,24,26,27,28,32);5-7,9-13H,3-4,8H2,1-2H3,(H3,22,24,25,26,30)
InChIKeyBYGFJVPAWNWSEU-UHFFFAOYSA-N
XLogP8.08
TPSA350.59 Ų
H-Bond Donors9
H-Bond Acceptors21
Rotatable Bonds19
Heavy Atoms98
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001329.50
LogP ≤ 58.08
H-Bond Donors ≤ 59
H-Bond Acceptors ≤ 1021

Analyze 1-ethyl-3-[6-[1-(2-morpholin-4-ylethyl)-2-oxo-4-pyridinyl]-4-pyrazol-1-yl-1H-benzimidazol-2-yl]urea;1-ethyl-3-[6-[2-oxo-1-(oxolan-2-ylmethyl)-4-pyridinyl]-4-pyrazol-1-yl-1H-benzimidazol-2-yl]urea;1-ethyl-3-[6-(2-oxo-1-propyl-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

1-ethyl-3-[5-fluoro-6-[2-methyl-6-oxo-1-(pyridin-2-ylmethyl)-4-pyridinyl]-4-(4-methylpyrazol-1-yl)-1H-benzimidazol-2-yl]urea
CID 118721909
6-[6-fluoro-2-(3-methylimidazol-4-yl)-5-(1-methylpyrazol-4-yl)benzimidazol-1-yl]-1,3-dimethyl-4-[(1S,4S)-2-oxa-5-azabicyclo[2.2.1]heptan-5-yl]benzimidazol-2-one
CID 177184480
1-ethyl-3-[6-[1-(2-methoxyethyl)-2-oxo-4-pyridinyl]-4-pyrazol-1-yl-1H-benzimidazol-2-yl]urea
CID 11154388
1-ethyl-3-[6-(5-oxo-2,3-dihydro-1H-indolizin-7-yl)-4-pyrazol-1-yl-1H-benzimidazol-2-yl]urea
CID 11165581
1-[6-(1-benzyl-2-oxo-4-pyridinyl)-4-pyrazol-1-yl-1H-benzimidazol-2-yl]-3-ethylurea
CID 11213172
1-ethyl-3-[6-[2-oxo-1-(oxolan-2-ylmethyl)-4-pyridinyl]-4-pyrazol-1-yl-1H-benzimidazol-2-yl]urea
CID 11339822
1-[6-(1,4-dimethyl-5-oxoimidazo[4,5-b]pyridin-7-yl)-4-pyrazol-1-yl-1H-benzimidazol-2-yl]-3-ethylurea
CID 11373816
1-ethyl-3-[6-[1-(2-morpholin-4-ylethyl)-2-oxo-4-pyridinyl]-4-pyrazol-1-yl-1H-benzimidazol-2-yl]urea
CID 11454363
1-ethyl-3-[6-[6-(morpholin-4-ylmethyl)-3-pyridinyl]-4-pyrazol-1-yl-1H-benzimidazol-2-yl]urea
CID 11476360
1-[6-(1-benzyl-6-oxo-2,3-dihydropyridin-4-yl)-4-pyrazol-1-yl-1H-benzimidazol-2-yl]-3-ethylurea
CID 16066672
1-ethyl-3-[6-[1-(2-methoxy-2-methylpropyl)-2-oxo-4-pyridinyl]-4-pyrazol-1-yl-1H-benzimidazol-2-yl]urea
CID 44134048
1-ethyl-3-[6-[1-[(2S,3S)-3-methoxybutan-2-yl]-2-oxo-4-pyridinyl]-4-pyrazol-1-yl-1H-benzimidazol-2-yl]urea
CID 44134050

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3-[6-[1-(2-morpholin-4-ylethyl)-2-oxo-4-pyridinyl]-4-pyrazol-1-yl-1H-benzimidazol-2-yl]urea;1-ethyl-3-[6-[2-oxo-1-(oxolan-2-ylmethyl)-4-pyridinyl]-4-pyrazol-1-yl-1H-benzimidazol-2-yl]urea;1-ethyl-3-[6-(2-oxo-1-propyl-4-pyridinyl)-4-pyrazol-1-yl-1H-benzimidazol-2-yl]urea?
The IUPAC name of 1-ethyl-3-[6-[1-(2-morpholin-4-ylethyl)-2-oxo-4-pyridinyl]-4-pyrazol-1-yl-1H-benzimidazol-2-yl]urea;1-ethyl-3-[6-[2-oxo-1-(oxolan-2-ylmethyl)-4-pyridinyl]-4-pyrazol-1-yl-1H-benzimidazol-2-yl]urea;1-ethyl-3-[6-(2-oxo-1-propyl-4-pyridinyl)-4-pyrazol-1-yl-1H-benzimidazol-2-yl]urea (CID 157499619) is 1-ethyl-3-[6-[1-(2-morpholin-4-ylethyl)-2-oxo-4-pyridinyl]-4-pyrazol-1-yl-1H-benzimidazol-2-yl]urea;1-ethyl-3-[6-[2-oxo-1-(oxolan-2-ylmethyl)-4-pyridinyl]-4-pyrazol-1-yl-1H-benzimidazol-2-yl]urea;1-ethyl-3-[6-(2-oxo-1-propyl-4-pyridinyl)-4-pyrazol-1-yl-1H-benzimidazol-2-yl]urea.
What is the SMILES notation for 1-ethyl-3-[6-[1-(2-morpholin-4-ylethyl)-2-oxo-4-pyridinyl]-4-pyrazol-1-yl-1H-benzimidazol-2-yl]urea;1-ethyl-3-[6-[2-oxo-1-(oxolan-2-ylmethyl)-4-pyridinyl]-4-pyrazol-1-yl-1H-benzimidazol-2-yl]urea;1-ethyl-3-[6-(2-oxo-1-propyl-4-pyridinyl)-4-pyrazol-1-yl-1H-benzimidazol-2-yl]urea?
The canonical SMILES for 1-ethyl-3-[6-[1-(2-morpholin-4-ylethyl)-2-oxo-4-pyridinyl]-4-pyrazol-1-yl-1H-benzimidazol-2-yl]urea;1-ethyl-3-[6-[2-oxo-1-(oxolan-2-ylmethyl)-4-pyridinyl]-4-pyrazol-1-yl-1H-benzimidazol-2-yl]urea;1-ethyl-3-[6-(2-oxo-1-propyl-4-pyridinyl)-4-pyrazol-1-yl-1H-benzimidazol-2-yl]urea is CCCn1ccc(-c2cc(-n3cccn3)c3nc(NC(=O)NCC)[nH]c3c2)cc1=O.CCNC(=O)Nc1nc2c(-n3cccn3)cc(-c3ccn(CC4CCCO4)c(=O)c3)cc2[nH]1.CCNC(=O)Nc1nc2c(-n3cccn3)cc(-c3ccn(CCN4CCOCC4)c(=O)c3)cc2[nH]1.
What is the InChIKey of 1-ethyl-3-[6-[1-(2-morpholin-4-ylethyl)-2-oxo-4-pyridinyl]-4-pyrazol-1-yl-1H-benzimidazol-2-yl]urea;1-ethyl-3-[6-[2-oxo-1-(oxolan-2-ylmethyl)-4-pyridinyl]-4-pyrazol-1-yl-1H-benzimidazol-2-yl]urea;1-ethyl-3-[6-(2-oxo-1-propyl-4-pyridinyl)-4-pyrazol-1-yl-1H-benzimidazol-2-yl]urea?
The InChIKey is BYGFJVPAWNWSEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N8O3.C23H25N7O3.C21H23N7O2/c1-2-25-24(34)29-23-27-19-14-18(15-20(22(19)28-23)32-6-3-5-26-32)17-4-7-31(21(33)16-17)9-8-30-10-12-35-13-11-30;1-2-24-23(32)28-22-26-18-11-16(12-19(21(18)27-22)30-8-4-7-25-30)15-6-9-29(20(31)13-15)14-17-5-3-10-33-17;1-3-8-27-10-6-14(13-18(27)29)15-11-16-19(17(12-15)28-9-5-7-23-28)25-20(24-16)26-21(30)22-4-2/h3-7,14-16H,2,8-13H2,1H3,(H3,25,27,28,29,34);4,6-9,11-13,17H,2-3,5,10,14H2,1H3,(H3,24,26,27,28,32);5-7,9-13H,3-4,8H2,1-2H3,(H3,22,24,25,26,30).
What are the key properties of 1-ethyl-3-[6-[1-(2-morpholin-4-ylethyl)-2-oxo-4-pyridinyl]-4-pyrazol-1-yl-1H-benzimidazol-2-yl]urea;1-ethyl-3-[6-[2-oxo-1-(oxolan-2-ylmethyl)-4-pyridinyl]-4-pyrazol-1-yl-1H-benzimidazol-2-yl]urea;1-ethyl-3-[6-(2-oxo-1-propyl-4-pyridinyl)-4-pyrazol-1-yl-1H-benzimidazol-2-yl]urea?
1-ethyl-3-[6-[1-(2-morpholin-4-ylethyl)-2-oxo-4-pyridinyl]-4-pyrazol-1-yl-1H-benzimidazol-2-yl]urea;1-ethyl-3-[6-[2-oxo-1-(oxolan-2-ylmethyl)-4-pyridinyl]-4-pyrazol-1-yl-1H-benzimidazol-2-yl]urea;1-ethyl-3-[6-(2-oxo-1-propyl-4-pyridinyl)-4-pyrazol-1-yl-1H-benzimidazol-2-yl]urea has a molecular weight of 1329.50 g/mol, XLogP of 8.08, 19 rotatable bonds, 9 hydrogen bond donors, and 21 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3-[6-[1-(2-morpholin-4-ylethyl)-2-oxo-4-pyridinyl]-4-pyrazol-1-yl-1H-benzimidazol-2-yl]urea;1-ethyl-3-[6-[2-oxo-1-(oxolan-2-ylmethyl)-4-pyridinyl]-4-pyrazol-1-yl-1H-benzimidazol-2-yl]urea;1-ethyl-3-[6-(2-oxo-1-propyl-4-pyridinyl)-4-pyrazol-1-yl-1H-benzimidazol-2-yl]urea is sourced from PubChem (CID 157499619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).