1-[6-[1-(cyclopropylmethyl)-2-oxo-4-pyridinyl]-4-pyrazol-1-yl-1H-benzimidazol-2-yl]-3-ethylurea;1-ethyl-3-[6-[1-(2-methoxyethyl)-2-oxo-4-pyridinyl]-4-pyrazol-1-yl-1H-benzimidazol-2-yl]urea;1-ethyl-3-[4-(3-methyl-1,2,4-oxadiazol-5-yl)-6-pyridin-3-yl-1H-benzimidazol-2-yl]urea

C61H63N21O7 — CID 158012817

IUPAC1-[6-[1-(cyclopropylmethyl)-2-oxo-4-pyridinyl]-4-pyrazol-1-yl-1H-benzimidazol-2-yl]-3-ethylurea;1-ethyl-3-[6-[1-(2-methoxyethyl)-2-oxo-4-pyridinyl]-4-pyrazol-1-yl-1H-benzimidazol-2-yl]urea;1-ethyl-3-[4-(3-methyl-1,2,4-oxadiazol-5-yl)-6-pyridin-3-yl-1H-benzimidazol-2-yl]urea
SMILESCCNC(=O)Nc1nc2c(-c3nc(C)no3)cc(-c3cccnc3)cc2[nH]1.CCNC(=O)Nc1nc2c(-n3cccn3)cc(-c3ccn(CC4CC4)c(=O)c3)cc2[nH]1.CCNC(=O)Nc1nc2c(-n3cccn3)cc(-c3ccn(CCOC)c(=O)c3)cc2[nH]1
InChIInChI=1S/C22H23N7O2.C21H23N7O3.C18H17N7O2/c1-2-23-22(31)27-21-25-17-10-16(11-18(20(17)26-21)29-8-3-7-24-29)15-6-9-28(19(30)12-15)13-14-4-5-14;1-3-22-21(30)26-20-24-16-11-15(12-17(19(16)25-20)28-7-4-6-23-28)14-5-8-27(9-10-31-2)18(29)13-14;1-3-20-18(26)24-17-22-14-8-12(11-5-4-6-19-9-11)7-13(15(14)23-17)16-21-10(2)25-27-16/h3,6-12,14H,2,4-5,13H2,1H3,(H3,23,25,26,27,31);4-8,11-13H,3,9-10H2,1-2H3,(H3,22,24,25,26,30);4-9H,3H2,1-2H3,(H3,20,22,23,24,26)
InChIKeyFFCHLYDOMQLGSF-UHFFFAOYSA-N
MW1202.31 g/mol
LogP8.62
Rot. Bonds17

About 1-[6-[1-(cyclopropylmethyl)-2-oxo-4-pyridinyl]-4-pyrazol-1-yl-1H-benzimidazol-2-yl]-3-ethylurea;1-ethyl-3-[6-[1-(2-methoxyethyl)-2-oxo-4-pyridinyl]-4-pyrazol-1-yl-1H-benzimidazol-2-yl]urea;1-ethyl-3-[4-(3-methyl-1,2,4-oxadiazol-5-yl)-6-pyridin-3-yl-1H-benzimidazol-2-yl]urea

1-[6-[1-(cyclopropylmethyl)-2-oxo-4-pyridinyl]-4-pyrazol-1-yl-1H-benzimidazol-2-yl]-3-ethylurea;1-ethyl-3-[6-[1-(2-methoxyethyl)-2-oxo-4-pyridinyl]-4-pyrazol-1-yl-1H-benzimidazol-2-yl]urea;1-ethyl-3-[4-(3-methyl-1,2,4-oxadiazol-5-yl)-6-pyridin-3-yl-1H-benzimidazol-2-yl]urea (PubChem CID 158012817) has the molecular formula C61H63N21O7 and a molecular weight of 1202.31 g/mol. Its IUPAC name is 1-[6-[1-(cyclopropylmethyl)-2-oxo-4-pyridinyl]-4-pyrazol-1-yl-1H-benzimidazol-2-yl]-3-ethylurea;1-ethyl-3-[6-[1-(2-methoxyethyl)-2-oxo-4-pyridinyl]-4-pyrazol-1-yl-1H-benzimidazol-2-yl]urea;1-ethyl-3-[4-(3-methyl-1,2,4-oxadiazol-5-yl)-6-pyridin-3-yl-1H-benzimidazol-2-yl]urea.

Molecular Properties

Compound Name1-[6-[1-(cyclopropylmethyl)-2-oxo-4-pyridinyl]-4-pyrazol-1-yl-1H-benzimidazol-2-yl]-3-ethylurea;1-ethyl-3-[6-[1-(2-methoxyethyl)-2-oxo-4-pyridinyl]-4-pyrazol-1-yl-1H-benzimidazol-2-yl]urea;1-ethyl-3-[4-(3-methyl-1,2,4-oxadiazol-5-yl)-6-pyridin-3-yl-1H-benzimidazol-2-yl]urea
PubChem CID158012817
Molecular FormulaC61H63N21O7
Molecular Weight1202.31 g/mol
Exact Mass1201.52
IUPAC Name1-[6-[1-(cyclopropylmethyl)-2-oxo-4-pyridinyl]-4-pyrazol-1-yl-1H-benzimidazol-2-yl]-3-ethylurea;1-ethyl-3-[6-[1-(2-methoxyethyl)-2-oxo-4-pyridinyl]-4-pyrazol-1-yl-1H-benzimidazol-2-yl]urea;1-ethyl-3-[4-(3-methyl-1,2,4-oxadiazol-5-yl)-6-pyridin-3-yl-1H-benzimidazol-2-yl]urea
SMILESCCNC(=O)Nc1nc2c(-c3nc(C)no3)cc(-c3cccnc3)cc2[nH]1.CCNC(=O)Nc1nc2c(-n3cccn3)cc(-c3ccn(CC4CC4)c(=O)c3)cc2[nH]1.CCNC(=O)Nc1nc2c(-n3cccn3)cc(-c3ccn(CCOC)c(=O)c3)cc2[nH]1
InChIInChI=1S/C22H23N7O2.C21H23N7O3.C18H17N7O2/c1-2-23-22(31)27-21-25-17-10-16(11-18(20(17)26-21)29-8-3-7-24-29)15-6-9-28(19(30)12-15)13-14-4-5-14;1-3-22-21(30)26-20-24-16-11-15(12-17(19(16)25-20)28-7-4-6-23-28)14-5-8-27(9-10-31-2)18(29)13-14;1-3-20-18(26)24-17-22-14-8-12(11-5-4-6-19-9-11)7-13(15(14)23-17)16-21-10(2)25-27-16/h3,6-12,14H,2,4-5,13H2,1H3,(H3,23,25,26,27,31);4-8,11-13H,3,9-10H2,1-2H3,(H3,22,24,25,26,30);4-9H,3H2,1-2H3,(H3,20,22,23,24,26)
InChIKeyFFCHLYDOMQLGSF-UHFFFAOYSA-N
XLogP8.62
TPSA350.11 Ų
H-Bond Donors9
H-Bond Acceptors19
Rotatable Bonds17
Heavy Atoms89
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001202.31
LogP ≤ 58.62
H-Bond Donors ≤ 59
H-Bond Acceptors ≤ 1019

Analyze 1-[6-[1-(cyclopropylmethyl)-2-oxo-4-pyridinyl]-4-pyrazol-1-yl-1H-benzimidazol-2-yl]-3-ethylurea;1-ethyl-3-[6-[1-(2-methoxyethyl)-2-oxo-4-pyridinyl]-4-pyrazol-1-yl-1H-benzimidazol-2-yl]urea;1-ethyl-3-[4-(3-methyl-1,2,4-oxadiazol-5-yl)-6-pyridin-3-yl-1H-benzimidazol-2-yl]urea with MolForge

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Related Compounds

1-[2-[2-[[2-[3-[[4-[3-carbamoyl-1-[2-[4-fluoro-2-[[4-(3-methyl-1,2,4-oxadiazol-5-yl)-1,2,5-oxadiazol-3-yl]carbamoyl]pyrrolidin-1-yl]-2-oxoethyl]indazol-5-yl]pyridazin-1-ium-1-yl]methyl]phenyl]-1H-benzimidazol-4-yl]carbamoyl]-4-fluoropyrrolidin-1-yl]-2-oxoethyl]-5-pyridazin-4-ylindazole-3-carboxamide
CID 123517016
2-amino-1-[[3-[(3R,5R)-5-[4-(1,1-difluoroethyl)phenyl]oxolan-3-yl]-1,2,4-oxadiazol-5-yl]methyl]-7-methylpurin-6-one;2-amino-5-methyl-3-[[3-[(3R,5R)-5-(4-methylphenyl)oxolan-3-yl]-1,2,4-oxadiazol-5-yl]methyl]pyrido[2,3-d]pyrimidin-4-one;bis(2,7-dimethyl-1-[[3-[(3R,5R)-5-(4-methylphenyl)oxolan-3-yl]-1,2,4-oxadiazol-5-yl]methyl]purin-6-one);3-[[3-[(3R,5R)-5-(1H-indol-6-yl)oxolan-3-yl]-1,2,4-oxadiazol-5-yl]methyl]-5-methylpyrazolo[5,1-f][1,2,4]triazin-4-one;5-methyl-3-[[3-[(3R,5R)-5-(1-methylindol-6-yl)oxolan-3-yl]-1,2,4-oxadiazol-5-yl]methyl]pyrazolo[5,1-f][1,2,4]triazin-4-one;3-methyl-5-[[3-[(3R,5R)-5-(4-methylphenyl)oxolan-3-yl]-1,2,4-oxadiazol-5-yl]methyl]imidazo[4,5-d]pyridazin-4-one
CID 159615213
(3Z)-6-[3-(3-phenyl-1,2,4-oxadiazol-5-yl)anilino]-3-(1H-pyrrol-2-ylmethylidene)-1H-indol-2-one;(3Z)-3-(1H-pyrrol-2-ylmethylidene)-6-[3-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]anilino]-1H-indol-2-one;(3Z)-3-(1H-pyrrol-2-ylmethylidene)-6-[3-[5-[3-(trifluoromethyl)phenyl]-1H-imidazol-2-yl]anilino]-1H-indol-2-one;(3Z)-3-(1H-pyrrol-2-ylmethylidene)-6-[3-[3-[3-(trifluoromethyl)phenyl]-1H-1,2,4-triazol-5-yl]anilino]-1H-indol-2-one;3-(1H-pyrrol-2-ylmethylidene)-6-[3-[3-[3-(trifluoromethyl)phenyl]-1H-1,2,4-triazol-5-yl]phenyl]-1H-indol-2-one
CID 160158446
5-[1-[[3-[4-[[1-[2-(3-carbamoyl-5-pyridazin-4-ylindazol-1-yl)acetyl]-4-fluoropyrrolidine-2-carbonyl]amino]-1H-benzimidazol-2-yl]phenyl]methyl]-1H-pyridazin-1-ium-2-id-4-yl]-1-[2-[4-fluoro-2-[[4-(3-methyl-1,2,4-oxadiazol-5-yl)-1,2,5-oxadiazol-3-yl]carbamoyl]pyrrolidin-1-yl]-2-oxoethyl]indazole-3-carboxamide
CID 163445731
[5-[(4S)-2,2-dimethyloxan-4-yl]-1-[(1S,2S)-2-methyl-1-(1,2,4-oxadiazol-3-yl)cyclopropyl]indol-2-yl]-[(4S)-2-(4-fluoro-3,5-dimethylphenyl)-3-[4-(4-fluoro-1-methylindazol-5-yl)-5-methyl-1H-imidazol-2-yl]-4-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]methanone
CID 177756616
5-[1-[[3-[4-[[1-[2-(3-carbamoyl-5-pyridazin-4-ylindazol-1-yl)acetyl]-4-fluoropyrrolidine-2-carbonyl]amino]-1H-benzimidazol-2-yl]phenyl]methyl]pyridazin-2-id-4-yl]-1-[2-[4-fluoro-2-[[4-(3-methyl-1,2,4-oxadiazol-5-yl)-1,2,5-oxadiazol-3-yl]carbamoyl]pyrrolidin-1-yl]-2-oxoethyl]indazole-3-carboxamide
CID 163445732
4-[2-cyclobutyl-7-(3,5-dimethyl-1H-pyrazol-4-yl)-3H-benzimidazol-5-yl]-3,5-dimethyl-1,2-oxazole;4-[2-cyclopropyl-6-(3,5-dimethyl-1,2-oxazol-4-yl)-1H-benzimidazol-4-yl]-3,5-dimethyl-1,2-oxazole;4-[7-(3,5-dimethyl-1H-pyrazol-4-yl)-2-(1-fluorocyclopropyl)-3H-benzimidazol-5-yl]-3,5-dimethyl-1,2-oxazole;4-[7-(2,4-dimethyl-3-pyridinyl)-3H-benzimidazol-5-yl]-3,5-dimethyl-1,2-oxazole
CID 157185467
1-[6-[1-(cyclopropylmethyl)-2-oxo-4-pyridinyl]-4-pyrazol-1-yl-1H-benzimidazol-2-yl]-3-ethylurea;1-ethyl-3-[6-[1-(2-methoxyethyl)-2-oxo-4-pyridinyl]-4-pyrazol-1-yl-1H-benzimidazol-2-yl]urea;1-ethyl-3-[4-(3-methyl-1,2,4-oxadiazol-5-yl)-6-pyridin-3-yl-1H-benzimidazol-2-yl]urea;1-ethyl-3-[4-(5-methyl-1,3-oxazol-2-yl)-6-pyridin-3-yl-1H-benzimidazol-2-yl]urea
CID 158461219
1-[6-(3-cyanophenyl)-4-pyrazol-1-yl-1H-benzimidazol-2-yl]-3-ethylurea;1-[4-(4-cyano-2-pyridinyl)-6-pyridin-3-yl-1H-benzimidazol-2-yl]-3-ethylurea;1-ethyl-3-[6-[4-[(2-oxopyrrolidin-1-yl)methyl]phenyl]-4-pyrazol-1-yl-1H-benzimidazol-2-yl]urea;methyl 2-[2-(ethylcarbamoylamino)-6-pyridin-3-yl-1H-benzimidazol-4-yl]pyridine-4-carboxylate
CID 158517767
N-(cyclopropylmethyl)-4,6-bis(3,5-dimethyl-1,2-oxazol-4-yl)-1H-benzimidazol-2-amine;4-[7-(1,4-dimethylpyrazol-5-yl)-2-methoxy-3H-benzimidazol-5-yl]-3,5-dimethyl-1,2-oxazole;4-[7-(3,5-dimethyl-2H-pyrrol-4-yl)-2-methoxy-3H-benzimidazol-5-yl]-3,5-dimethyl-1,2-oxazole;4-[7-(2,4-dimethyl-1H-pyrrol-3-yl)-2-methyl-3H-benzimidazol-5-yl]-3,5-dimethyl-1,2-oxazole;4-[2-ethoxy-7-(2-methylnaphthalen-1-yl)-3H-benzimidazol-5-yl]-3,5-dimethyl-1,2-oxazole;4-[2-methoxy-7-(2-methylnaphthalen-1-yl)-3H-benzimidazol-5-yl]-3,5-dimethyl-1,2-oxazole
CID 158583442
3,5-dimethyl-4-[2-methyl-7-(6-methylquinolin-5-yl)-3H-benzimidazol-5-yl]-1,2-oxazole;5-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methyl-1H-benzimidazol-4-yl]-3,4-dihydro-1H-quinolin-2-one;4-[7-(1,4-dimethylpyrazol-5-yl)-2-methyl-3H-benzimidazol-5-yl]-3,5-dimethyl-1,2-oxazole
CID 158604466
1-[6-[1-[2-(diethylamino)ethyl]-2-oxo-4-pyridinyl]-4-pyrazol-1-yl-1H-benzimidazol-2-yl]-3-ethylurea;1-ethyl-3-[4-(5-methyl-1,3,4-oxadiazol-2-yl)-6-pyridin-3-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
CID 158797480

Frequently Asked Questions

What is the IUPAC name of 1-[6-[1-(cyclopropylmethyl)-2-oxo-4-pyridinyl]-4-pyrazol-1-yl-1H-benzimidazol-2-yl]-3-ethylurea;1-ethyl-3-[6-[1-(2-methoxyethyl)-2-oxo-4-pyridinyl]-4-pyrazol-1-yl-1H-benzimidazol-2-yl]urea;1-ethyl-3-[4-(3-methyl-1,2,4-oxadiazol-5-yl)-6-pyridin-3-yl-1H-benzimidazol-2-yl]urea?
The IUPAC name of 1-[6-[1-(cyclopropylmethyl)-2-oxo-4-pyridinyl]-4-pyrazol-1-yl-1H-benzimidazol-2-yl]-3-ethylurea;1-ethyl-3-[6-[1-(2-methoxyethyl)-2-oxo-4-pyridinyl]-4-pyrazol-1-yl-1H-benzimidazol-2-yl]urea;1-ethyl-3-[4-(3-methyl-1,2,4-oxadiazol-5-yl)-6-pyridin-3-yl-1H-benzimidazol-2-yl]urea (CID 158012817) is 1-[6-[1-(cyclopropylmethyl)-2-oxo-4-pyridinyl]-4-pyrazol-1-yl-1H-benzimidazol-2-yl]-3-ethylurea;1-ethyl-3-[6-[1-(2-methoxyethyl)-2-oxo-4-pyridinyl]-4-pyrazol-1-yl-1H-benzimidazol-2-yl]urea;1-ethyl-3-[4-(3-methyl-1,2,4-oxadiazol-5-yl)-6-pyridin-3-yl-1H-benzimidazol-2-yl]urea.
What is the SMILES notation for 1-[6-[1-(cyclopropylmethyl)-2-oxo-4-pyridinyl]-4-pyrazol-1-yl-1H-benzimidazol-2-yl]-3-ethylurea;1-ethyl-3-[6-[1-(2-methoxyethyl)-2-oxo-4-pyridinyl]-4-pyrazol-1-yl-1H-benzimidazol-2-yl]urea;1-ethyl-3-[4-(3-methyl-1,2,4-oxadiazol-5-yl)-6-pyridin-3-yl-1H-benzimidazol-2-yl]urea?
The canonical SMILES for 1-[6-[1-(cyclopropylmethyl)-2-oxo-4-pyridinyl]-4-pyrazol-1-yl-1H-benzimidazol-2-yl]-3-ethylurea;1-ethyl-3-[6-[1-(2-methoxyethyl)-2-oxo-4-pyridinyl]-4-pyrazol-1-yl-1H-benzimidazol-2-yl]urea;1-ethyl-3-[4-(3-methyl-1,2,4-oxadiazol-5-yl)-6-pyridin-3-yl-1H-benzimidazol-2-yl]urea is CCNC(=O)Nc1nc2c(-c3nc(C)no3)cc(-c3cccnc3)cc2[nH]1.CCNC(=O)Nc1nc2c(-n3cccn3)cc(-c3ccn(CC4CC4)c(=O)c3)cc2[nH]1.CCNC(=O)Nc1nc2c(-n3cccn3)cc(-c3ccn(CCOC)c(=O)c3)cc2[nH]1.
What is the InChIKey of 1-[6-[1-(cyclopropylmethyl)-2-oxo-4-pyridinyl]-4-pyrazol-1-yl-1H-benzimidazol-2-yl]-3-ethylurea;1-ethyl-3-[6-[1-(2-methoxyethyl)-2-oxo-4-pyridinyl]-4-pyrazol-1-yl-1H-benzimidazol-2-yl]urea;1-ethyl-3-[4-(3-methyl-1,2,4-oxadiazol-5-yl)-6-pyridin-3-yl-1H-benzimidazol-2-yl]urea?
The InChIKey is FFCHLYDOMQLGSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N7O2.C21H23N7O3.C18H17N7O2/c1-2-23-22(31)27-21-25-17-10-16(11-18(20(17)26-21)29-8-3-7-24-29)15-6-9-28(19(30)12-15)13-14-4-5-14;1-3-22-21(30)26-20-24-16-11-15(12-17(19(16)25-20)28-7-4-6-23-28)14-5-8-27(9-10-31-2)18(29)13-14;1-3-20-18(26)24-17-22-14-8-12(11-5-4-6-19-9-11)7-13(15(14)23-17)16-21-10(2)25-27-16/h3,6-12,14H,2,4-5,13H2,1H3,(H3,23,25,26,27,31);4-8,11-13H,3,9-10H2,1-2H3,(H3,22,24,25,26,30);4-9H,3H2,1-2H3,(H3,20,22,23,24,26).
What are the key properties of 1-[6-[1-(cyclopropylmethyl)-2-oxo-4-pyridinyl]-4-pyrazol-1-yl-1H-benzimidazol-2-yl]-3-ethylurea;1-ethyl-3-[6-[1-(2-methoxyethyl)-2-oxo-4-pyridinyl]-4-pyrazol-1-yl-1H-benzimidazol-2-yl]urea;1-ethyl-3-[4-(3-methyl-1,2,4-oxadiazol-5-yl)-6-pyridin-3-yl-1H-benzimidazol-2-yl]urea?
1-[6-[1-(cyclopropylmethyl)-2-oxo-4-pyridinyl]-4-pyrazol-1-yl-1H-benzimidazol-2-yl]-3-ethylurea;1-ethyl-3-[6-[1-(2-methoxyethyl)-2-oxo-4-pyridinyl]-4-pyrazol-1-yl-1H-benzimidazol-2-yl]urea;1-ethyl-3-[4-(3-methyl-1,2,4-oxadiazol-5-yl)-6-pyridin-3-yl-1H-benzimidazol-2-yl]urea has a molecular weight of 1202.31 g/mol, XLogP of 8.62, 17 rotatable bonds, 9 hydrogen bond donors, and 19 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-[1-(cyclopropylmethyl)-2-oxo-4-pyridinyl]-4-pyrazol-1-yl-1H-benzimidazol-2-yl]-3-ethylurea;1-ethyl-3-[6-[1-(2-methoxyethyl)-2-oxo-4-pyridinyl]-4-pyrazol-1-yl-1H-benzimidazol-2-yl]urea;1-ethyl-3-[4-(3-methyl-1,2,4-oxadiazol-5-yl)-6-pyridin-3-yl-1H-benzimidazol-2-yl]urea is sourced from PubChem (CID 158012817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).