1-[2-(ethylcarbamoylamino)-6-pyridin-3-yl-1H-benzimidazol-4-yl]-N,N-dimethylpyrazole-4-carboxamide;1-ethyl-3-[6-[1-(2-hydroxy-2-methylpropyl)-2-oxo-4-pyridinyl]-4-pyrazol-1-yl-1H-benzimidazol-2-yl]urea;1-ethyl-3-[6-(2-methoxypyrimidin-5-yl)-4-pyridin-2-yl-1H-benzimidazol-2-yl]urea

C63H66N22O7 — CID 159407787

IUPAC1-[2-(ethylcarbamoylamino)-6-pyridin-3-yl-1H-benzimidazol-4-yl]-N,N-dimethylpyrazole-4-carboxamide;1-ethyl-3-[6-[1-(2-hydroxy-2-methylpropyl)-2-oxo-4-pyridinyl]-4-pyrazol-1-yl-1H-benzimidazol-2-yl]urea;1-ethyl-3-[6-(2-methoxypyrimidin-5-yl)-4-pyridin-2-yl-1H-benzimidazol-2-yl]urea
SMILESCCNC(=O)Nc1nc2c(-c3ccccn3)cc(-c3cnc(OC)nc3)cc2[nH]1.CCNC(=O)Nc1nc2c(-n3cc(C(=O)N(C)C)cn3)cc(-c3cccnc3)cc2[nH]1.CCNC(=O)Nc1nc2c(-n3cccn3)cc(-c3ccn(CC(C)(C)O)c(=O)c3)cc2[nH]1
InChIInChI=1S/C22H25N7O3.C21H22N8O2.C20H19N7O2/c1-4-23-21(31)27-20-25-16-10-15(11-17(19(16)26-20)29-8-5-7-24-29)14-6-9-28(18(30)12-14)13-22(2,3)32;1-4-23-21(31)27-20-25-16-8-14(13-6-5-7-22-10-13)9-17(18(16)26-20)29-12-15(11-24-29)19(30)28(2)3;1-3-21-19(28)27-18-25-16-9-12(13-10-23-20(29-2)24-11-13)8-14(17(16)26-18)15-6-4-5-7-22-15/h5-12,32H,4,13H2,1-3H3,(H3,23,25,26,27,31);5-12H,4H2,1-3H3,(H3,23,25,26,27,31);4-11H,3H2,1-2H3,(H3,21,25,26,27,28)
InChIKeyLOEKWWCDTQQZNE-UHFFFAOYSA-N
MW1243.37 g/mol
LogP8.38
Rot. Bonds16

About 1-[2-(ethylcarbamoylamino)-6-pyridin-3-yl-1H-benzimidazol-4-yl]-N,N-dimethylpyrazole-4-carboxamide;1-ethyl-3-[6-[1-(2-hydroxy-2-methylpropyl)-2-oxo-4-pyridinyl]-4-pyrazol-1-yl-1H-benzimidazol-2-yl]urea;1-ethyl-3-[6-(2-methoxypyrimidin-5-yl)-4-pyridin-2-yl-1H-benzimidazol-2-yl]urea

1-[2-(ethylcarbamoylamino)-6-pyridin-3-yl-1H-benzimidazol-4-yl]-N,N-dimethylpyrazole-4-carboxamide;1-ethyl-3-[6-[1-(2-hydroxy-2-methylpropyl)-2-oxo-4-pyridinyl]-4-pyrazol-1-yl-1H-benzimidazol-2-yl]urea;1-ethyl-3-[6-(2-methoxypyrimidin-5-yl)-4-pyridin-2-yl-1H-benzimidazol-2-yl]urea (PubChem CID 159407787) has the molecular formula C63H66N22O7 and a molecular weight of 1243.37 g/mol. Its IUPAC name is 1-[2-(ethylcarbamoylamino)-6-pyridin-3-yl-1H-benzimidazol-4-yl]-N,N-dimethylpyrazole-4-carboxamide;1-ethyl-3-[6-[1-(2-hydroxy-2-methylpropyl)-2-oxo-4-pyridinyl]-4-pyrazol-1-yl-1H-benzimidazol-2-yl]urea;1-ethyl-3-[6-(2-methoxypyrimidin-5-yl)-4-pyridin-2-yl-1H-benzimidazol-2-yl]urea.

Molecular Properties

Compound Name1-[2-(ethylcarbamoylamino)-6-pyridin-3-yl-1H-benzimidazol-4-yl]-N,N-dimethylpyrazole-4-carboxamide;1-ethyl-3-[6-[1-(2-hydroxy-2-methylpropyl)-2-oxo-4-pyridinyl]-4-pyrazol-1-yl-1H-benzimidazol-2-yl]urea;1-ethyl-3-[6-(2-methoxypyrimidin-5-yl)-4-pyridin-2-yl-1H-benzimidazol-2-yl]urea
PubChem CID159407787
Molecular FormulaC63H66N22O7
Molecular Weight1243.37 g/mol
Exact Mass1242.55
IUPAC Name1-[2-(ethylcarbamoylamino)-6-pyridin-3-yl-1H-benzimidazol-4-yl]-N,N-dimethylpyrazole-4-carboxamide;1-ethyl-3-[6-[1-(2-hydroxy-2-methylpropyl)-2-oxo-4-pyridinyl]-4-pyrazol-1-yl-1H-benzimidazol-2-yl]urea;1-ethyl-3-[6-(2-methoxypyrimidin-5-yl)-4-pyridin-2-yl-1H-benzimidazol-2-yl]urea
SMILESCCNC(=O)Nc1nc2c(-c3ccccn3)cc(-c3cnc(OC)nc3)cc2[nH]1.CCNC(=O)Nc1nc2c(-n3cc(C(=O)N(C)C)cn3)cc(-c3cccnc3)cc2[nH]1.CCNC(=O)Nc1nc2c(-n3cccn3)cc(-c3ccn(CC(C)(C)O)c(=O)c3)cc2[nH]1
InChIInChI=1S/C22H25N7O3.C21H22N8O2.C20H19N7O2/c1-4-23-21(31)27-20-25-16-10-15(11-17(19(16)26-20)29-8-5-7-24-29)14-6-9-28(18(30)12-14)13-22(2,3)32;1-4-23-21(31)27-20-25-16-8-14(13-6-5-7-22-10-13)9-17(18(16)26-20)29-12-15(11-24-29)19(30)28(2)3;1-3-21-19(28)27-18-25-16-9-12(13-10-23-20(29-2)24-11-13)8-14(17(16)26-18)15-6-4-5-7-22-15/h5-12,32H,4,13H2,1-3H3,(H3,23,25,26,27,31);5-12H,4H2,1-3H3,(H3,23,25,26,27,31);4-11H,3H2,1-2H3,(H3,21,25,26,27,28)
InChIKeyLOEKWWCDTQQZNE-UHFFFAOYSA-N
XLogP8.38
TPSA368.40 Ų
H-Bond Donors10
H-Bond Acceptors19
Rotatable Bonds16
Heavy Atoms92
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001243.37
LogP ≤ 58.38
H-Bond Donors ≤ 510
H-Bond Acceptors ≤ 1019

Analyze 1-[2-(ethylcarbamoylamino)-6-pyridin-3-yl-1H-benzimidazol-4-yl]-N,N-dimethylpyrazole-4-carboxamide;1-ethyl-3-[6-[1-(2-hydroxy-2-methylpropyl)-2-oxo-4-pyridinyl]-4-pyrazol-1-yl-1H-benzimidazol-2-yl]urea;1-ethyl-3-[6-(2-methoxypyrimidin-5-yl)-4-pyridin-2-yl-1H-benzimidazol-2-yl]urea with MolForge

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Related Compounds

4-[2-(4-chloropyrazol-1-yl)ethylamino]-3-[6-[1-(2-iminoethyl)piperidin-4-yl]-4-methyl-1H-benzimidazol-2-yl]-1H-pyridin-2-one;4-[2-(4-chloropyrazol-1-yl)ethylamino]-3-[4-methyl-6-[1-(3,3,3-trifluoropropyl)piperidin-4-yl]-1H-benzimidazol-2-yl]-1H-pyridin-2-one;ethyl 1-[2-[[3-[6-[1-(2-methoxyethyl)piperidin-4-yl]-4-methyl-1H-benzimidazol-2-yl]-2-oxo-1H-pyridin-4-yl]amino]ethyl]pyrazole-4-carboxylate;methyl 1-[2-[[3-[6-[1-(2-methoxyethyl)piperidin-4-yl]-4-methyl-1H-benzimidazol-2-yl]-2-oxo-1H-pyridin-4-yl]amino]ethyl]pyrazole-4-carboxylate
CID 158459945
4-[2-(4-chloropyrazol-1-yl)ethylamino]-3-[6-[1-(4,4-difluorocyclohexyl)piperidin-4-yl]-4-methyl-1H-benzimidazol-2-yl]-1H-pyridin-2-one;bis(4-[2-(4-chloropyrazol-1-yl)ethylamino]-3-[6-[1-(4-methoxycyclohexyl)piperidin-4-yl]-4-methyl-1H-benzimidazol-2-yl]-1H-pyridin-2-one)
CID 160183763
1-[2-(ethylcarbamoylamino)-6-pyridin-3-yl-1H-benzimidazol-4-yl]-N,N-dimethylpyrazole-4-carboxamide
CID 11362093
ethyl N-[6-[4-(cyclopropylcarbamoyl)imidazol-1-yl]-4-(3-oxo-2H-pyridin-6-yl)-1H-benzimidazol-2-yl]carbamate;1-ethyl-3-[6-(6-oxo-1-phenylpyridazin-4-yl)-4-pyrazol-1-yl-1H-benzimidazol-2-yl]urea
CID 91244895
[2-[5-[5-(ethylaminomethyl)-4-methyl-3-pyridinyl]-1H-indazol-3-yl]-1H-imidazol-5-yl]-[4-hydroxy-4-(morpholin-4-ylmethyl)piperidin-1-yl]methanone
CID 135992247
3-[1-[2-[5-[5-(ethylaminomethyl)-4-methyl-3-pyridinyl]-1H-indazol-3-yl]-1H-imidazole-5-carbonyl]piperidin-4-yl]-1H-benzimidazol-2-one
CID 135992317
3-[[2-[5-[5-[[ethyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]methyl]-4-methyl-3-pyridinyl]-1-(oxan-2-yl)indazol-3-yl]-1H-imidazole-5-carbonyl]amino]-8-azabicyclo[3.2.1]octane-8-carboxylic acid
CID 136335495
[3-(5,6-dimethyl-1H-benzimidazol-2-yl)-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridin-6-yl]-pyridin-3-ylmethanone
CID 136457466
N-[6-[[4-[5-[4-[(2,5-dimethylpyrazol-3-yl)carbamoyl]-1H-benzimidazol-2-yl]pyrazol-1-yl]phenyl]methyl]-4-methyl-2-pyridinyl]-2-(2-phenylpyrazol-3-yl)-1H-benzimidazole-4-carboxamide
CID 136626630
2-methyl-N-[5-[3-[4-[4-methyl-3-[3-[4-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl]-5-(4-methyl-3-pyridinyl)-2H-indazol-7-yl]piperazin-1-yl]-1H-benzimidazol-2-yl]-1H-indazol-5-yl]-3-pyridinyl]propanamide
CID 137037544
N-[5-[3-(4-pyridin-4-yl-1H-benzimidazol-2-yl)-7-[4-[2-[5-[5-(pyrrolidin-1-ylmethyl)-3-pyridinyl]-1H-indazol-3-yl]-1H-benzimidazol-4-yl]-2-pyridinyl]-1H-indazol-5-yl]-3-pyridinyl]benzamide
CID 137122417
2-(ethylcarbamoylamino)-N-[2-[2-[[4-(piperidine-1-carbonyl)-6-pyridin-3-yl-1H-benzimidazol-2-yl]carbamoylamino]ethoxy]ethyl]-6-pyridin-3-yl-1H-benzimidazole-4-carboxamide
CID 142842686

Frequently Asked Questions

What is the IUPAC name of 1-[2-(ethylcarbamoylamino)-6-pyridin-3-yl-1H-benzimidazol-4-yl]-N,N-dimethylpyrazole-4-carboxamide;1-ethyl-3-[6-[1-(2-hydroxy-2-methylpropyl)-2-oxo-4-pyridinyl]-4-pyrazol-1-yl-1H-benzimidazol-2-yl]urea;1-ethyl-3-[6-(2-methoxypyrimidin-5-yl)-4-pyridin-2-yl-1H-benzimidazol-2-yl]urea?
The IUPAC name of 1-[2-(ethylcarbamoylamino)-6-pyridin-3-yl-1H-benzimidazol-4-yl]-N,N-dimethylpyrazole-4-carboxamide;1-ethyl-3-[6-[1-(2-hydroxy-2-methylpropyl)-2-oxo-4-pyridinyl]-4-pyrazol-1-yl-1H-benzimidazol-2-yl]urea;1-ethyl-3-[6-(2-methoxypyrimidin-5-yl)-4-pyridin-2-yl-1H-benzimidazol-2-yl]urea (CID 159407787) is 1-[2-(ethylcarbamoylamino)-6-pyridin-3-yl-1H-benzimidazol-4-yl]-N,N-dimethylpyrazole-4-carboxamide;1-ethyl-3-[6-[1-(2-hydroxy-2-methylpropyl)-2-oxo-4-pyridinyl]-4-pyrazol-1-yl-1H-benzimidazol-2-yl]urea;1-ethyl-3-[6-(2-methoxypyrimidin-5-yl)-4-pyridin-2-yl-1H-benzimidazol-2-yl]urea.
What is the SMILES notation for 1-[2-(ethylcarbamoylamino)-6-pyridin-3-yl-1H-benzimidazol-4-yl]-N,N-dimethylpyrazole-4-carboxamide;1-ethyl-3-[6-[1-(2-hydroxy-2-methylpropyl)-2-oxo-4-pyridinyl]-4-pyrazol-1-yl-1H-benzimidazol-2-yl]urea;1-ethyl-3-[6-(2-methoxypyrimidin-5-yl)-4-pyridin-2-yl-1H-benzimidazol-2-yl]urea?
The canonical SMILES for 1-[2-(ethylcarbamoylamino)-6-pyridin-3-yl-1H-benzimidazol-4-yl]-N,N-dimethylpyrazole-4-carboxamide;1-ethyl-3-[6-[1-(2-hydroxy-2-methylpropyl)-2-oxo-4-pyridinyl]-4-pyrazol-1-yl-1H-benzimidazol-2-yl]urea;1-ethyl-3-[6-(2-methoxypyrimidin-5-yl)-4-pyridin-2-yl-1H-benzimidazol-2-yl]urea is CCNC(=O)Nc1nc2c(-c3ccccn3)cc(-c3cnc(OC)nc3)cc2[nH]1.CCNC(=O)Nc1nc2c(-n3cc(C(=O)N(C)C)cn3)cc(-c3cccnc3)cc2[nH]1.CCNC(=O)Nc1nc2c(-n3cccn3)cc(-c3ccn(CC(C)(C)O)c(=O)c3)cc2[nH]1.
What is the InChIKey of 1-[2-(ethylcarbamoylamino)-6-pyridin-3-yl-1H-benzimidazol-4-yl]-N,N-dimethylpyrazole-4-carboxamide;1-ethyl-3-[6-[1-(2-hydroxy-2-methylpropyl)-2-oxo-4-pyridinyl]-4-pyrazol-1-yl-1H-benzimidazol-2-yl]urea;1-ethyl-3-[6-(2-methoxypyrimidin-5-yl)-4-pyridin-2-yl-1H-benzimidazol-2-yl]urea?
The InChIKey is LOEKWWCDTQQZNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N7O3.C21H22N8O2.C20H19N7O2/c1-4-23-21(31)27-20-25-16-10-15(11-17(19(16)26-20)29-8-5-7-24-29)14-6-9-28(18(30)12-14)13-22(2,3)32;1-4-23-21(31)27-20-25-16-8-14(13-6-5-7-22-10-13)9-17(18(16)26-20)29-12-15(11-24-29)19(30)28(2)3;1-3-21-19(28)27-18-25-16-9-12(13-10-23-20(29-2)24-11-13)8-14(17(16)26-18)15-6-4-5-7-22-15/h5-12,32H,4,13H2,1-3H3,(H3,23,25,26,27,31);5-12H,4H2,1-3H3,(H3,23,25,26,27,31);4-11H,3H2,1-2H3,(H3,21,25,26,27,28).
What are the key properties of 1-[2-(ethylcarbamoylamino)-6-pyridin-3-yl-1H-benzimidazol-4-yl]-N,N-dimethylpyrazole-4-carboxamide;1-ethyl-3-[6-[1-(2-hydroxy-2-methylpropyl)-2-oxo-4-pyridinyl]-4-pyrazol-1-yl-1H-benzimidazol-2-yl]urea;1-ethyl-3-[6-(2-methoxypyrimidin-5-yl)-4-pyridin-2-yl-1H-benzimidazol-2-yl]urea?
1-[2-(ethylcarbamoylamino)-6-pyridin-3-yl-1H-benzimidazol-4-yl]-N,N-dimethylpyrazole-4-carboxamide;1-ethyl-3-[6-[1-(2-hydroxy-2-methylpropyl)-2-oxo-4-pyridinyl]-4-pyrazol-1-yl-1H-benzimidazol-2-yl]urea;1-ethyl-3-[6-(2-methoxypyrimidin-5-yl)-4-pyridin-2-yl-1H-benzimidazol-2-yl]urea has a molecular weight of 1243.37 g/mol, XLogP of 8.38, 16 rotatable bonds, 10 hydrogen bond donors, and 19 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(ethylcarbamoylamino)-6-pyridin-3-yl-1H-benzimidazol-4-yl]-N,N-dimethylpyrazole-4-carboxamide;1-ethyl-3-[6-[1-(2-hydroxy-2-methylpropyl)-2-oxo-4-pyridinyl]-4-pyrazol-1-yl-1H-benzimidazol-2-yl]urea;1-ethyl-3-[6-(2-methoxypyrimidin-5-yl)-4-pyridin-2-yl-1H-benzimidazol-2-yl]urea is sourced from PubChem (CID 159407787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).