1-[4-[4-(dimethylamino)-2-pyridinyl]-6-pyridin-3-yl-1H-benzimidazol-2-yl]-3-ethylurea;1-[6-(1,4-dimethyl-5-oxoimidazo[4,5-b]pyridin-7-yl)-4-pyrazol-1-yl-1H-benzimidazol-2-yl]-3-ethylurea;1-[2-(ethylcarbamoylamino)-6-(1-methyl-6-oxopyrimidin-4-yl)-1H-benzimidazol-4-yl]pyrazole-4-carboxylic acid

C62H62N24O7 — CID 157306676

IUPAC1-[4-[4-(dimethylamino)-2-pyridinyl]-6-pyridin-3-yl-1H-benzimidazol-2-yl]-3-ethylurea;1-[6-(1,4-dimethyl-5-oxoimidazo[4,5-b]pyridin-7-yl)-4-pyrazol-1-yl-1H-benzimidazol-2-yl]-3-ethylurea;1-[2-(ethylcarbamoylamino)-6-(1-methyl-6-oxopyrimidin-4-yl)-1H-benzimidazol-4-yl]pyrazole-4-carboxylic acid
SMILESCCNC(=O)Nc1nc2c(-c3cc(N(C)C)ccn3)cc(-c3cccnc3)cc2[nH]1.CCNC(=O)Nc1nc2c(-n3cc(C(=O)O)cn3)cc(-c3cc(=O)n(C)cn3)cc2[nH]1.CCNC(=O)Nc1nc2c(-n3cccn3)cc(-c3cc(=O)n(C)c4ncn(C)c34)cc2[nH]1
InChIInChI=1S/C22H23N7O.C21H21N9O2.C19H18N8O4/c1-4-24-22(30)28-21-26-19-11-15(14-6-5-8-23-13-14)10-17(20(19)27-21)18-12-16(29(2)3)7-9-25-18;1-4-22-21(32)27-20-25-14-8-12(9-15(17(14)26-20)30-7-5-6-24-30)13-10-16(31)29(3)19-18(13)28(2)11-23-19;1-3-20-19(31)25-18-23-13-4-10(12-6-15(28)26(2)9-21-12)5-14(16(13)24-18)27-8-11(7-22-27)17(29)30/h5-13H,4H2,1-3H3,(H3,24,26,27,28,30);5-11H,4H2,1-3H3,(H3,22,25,26,27,32);4-9H,3H2,1-2H3,(H,29,30)(H3,20,23,24,25,31)
InChIKeyBCODOTVFTGHCNI-UHFFFAOYSA-N
MW1255.34 g/mol
LogP7.39
Rot. Bonds14

About 1-[4-[4-(dimethylamino)-2-pyridinyl]-6-pyridin-3-yl-1H-benzimidazol-2-yl]-3-ethylurea;1-[6-(1,4-dimethyl-5-oxoimidazo[4,5-b]pyridin-7-yl)-4-pyrazol-1-yl-1H-benzimidazol-2-yl]-3-ethylurea;1-[2-(ethylcarbamoylamino)-6-(1-methyl-6-oxopyrimidin-4-yl)-1H-benzimidazol-4-yl]pyrazole-4-carboxylic acid

1-[4-[4-(dimethylamino)-2-pyridinyl]-6-pyridin-3-yl-1H-benzimidazol-2-yl]-3-ethylurea;1-[6-(1,4-dimethyl-5-oxoimidazo[4,5-b]pyridin-7-yl)-4-pyrazol-1-yl-1H-benzimidazol-2-yl]-3-ethylurea;1-[2-(ethylcarbamoylamino)-6-(1-methyl-6-oxopyrimidin-4-yl)-1H-benzimidazol-4-yl]pyrazole-4-carboxylic acid (PubChem CID 157306676) has the molecular formula C62H62N24O7 and a molecular weight of 1255.34 g/mol. Its IUPAC name is 1-[4-[4-(dimethylamino)-2-pyridinyl]-6-pyridin-3-yl-1H-benzimidazol-2-yl]-3-ethylurea;1-[6-(1,4-dimethyl-5-oxoimidazo[4,5-b]pyridin-7-yl)-4-pyrazol-1-yl-1H-benzimidazol-2-yl]-3-ethylurea;1-[2-(ethylcarbamoylamino)-6-(1-methyl-6-oxopyrimidin-4-yl)-1H-benzimidazol-4-yl]pyrazole-4-carboxylic acid.

Molecular Properties

Compound Name1-[4-[4-(dimethylamino)-2-pyridinyl]-6-pyridin-3-yl-1H-benzimidazol-2-yl]-3-ethylurea;1-[6-(1,4-dimethyl-5-oxoimidazo[4,5-b]pyridin-7-yl)-4-pyrazol-1-yl-1H-benzimidazol-2-yl]-3-ethylurea;1-[2-(ethylcarbamoylamino)-6-(1-methyl-6-oxopyrimidin-4-yl)-1H-benzimidazol-4-yl]pyrazole-4-carboxylic acid
PubChem CID157306676
Molecular FormulaC62H62N24O7
Molecular Weight1255.34 g/mol
Exact Mass1254.52
IUPAC Name1-[4-[4-(dimethylamino)-2-pyridinyl]-6-pyridin-3-yl-1H-benzimidazol-2-yl]-3-ethylurea;1-[6-(1,4-dimethyl-5-oxoimidazo[4,5-b]pyridin-7-yl)-4-pyrazol-1-yl-1H-benzimidazol-2-yl]-3-ethylurea;1-[2-(ethylcarbamoylamino)-6-(1-methyl-6-oxopyrimidin-4-yl)-1H-benzimidazol-4-yl]pyrazole-4-carboxylic acid
SMILESCCNC(=O)Nc1nc2c(-c3cc(N(C)C)ccn3)cc(-c3cccnc3)cc2[nH]1.CCNC(=O)Nc1nc2c(-n3cc(C(=O)O)cn3)cc(-c3cc(=O)n(C)cn3)cc2[nH]1.CCNC(=O)Nc1nc2c(-n3cccn3)cc(-c3cc(=O)n(C)c4ncn(C)c34)cc2[nH]1
InChIInChI=1S/C22H23N7O.C21H21N9O2.C19H18N8O4/c1-4-24-22(30)28-21-26-19-11-15(14-6-5-8-23-13-14)10-17(20(19)27-21)18-12-16(29(2)3)7-9-25-18;1-4-22-21(32)27-20-25-14-8-12(9-15(17(14)26-20)30-7-5-6-24-30)13-10-16(31)29(3)19-18(13)28(2)11-23-19;1-3-20-19(31)25-18-23-13-4-10(12-6-15(28)26(2)9-21-12)5-14(16(13)24-18)27-8-11(7-22-27)17(29)30/h5-13H,4H2,1-3H3,(H3,24,26,27,28,30);5-11H,4H2,1-3H3,(H3,22,25,26,27,32);4-9H,3H2,1-2H3,(H,29,30)(H3,20,23,24,25,31)
InChIKeyBCODOTVFTGHCNI-UHFFFAOYSA-N
XLogP7.39
TPSA386.10 Ų
H-Bond Donors10
H-Bond Acceptors21
Rotatable Bonds14
Heavy Atoms93
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001255.34
LogP ≤ 57.39
H-Bond Donors ≤ 510
H-Bond Acceptors ≤ 1021

Analyze 1-[4-[4-(dimethylamino)-2-pyridinyl]-6-pyridin-3-yl-1H-benzimidazol-2-yl]-3-ethylurea;1-[6-(1,4-dimethyl-5-oxoimidazo[4,5-b]pyridin-7-yl)-4-pyrazol-1-yl-1H-benzimidazol-2-yl]-3-ethylurea;1-[2-(ethylcarbamoylamino)-6-(1-methyl-6-oxopyrimidin-4-yl)-1H-benzimidazol-4-yl]pyrazole-4-carboxylic acid 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
N-tert-butyl-2-[1-methyl-5-(trifluoromethyl)indazol-3-yl]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide;2-methylpropan-2-amine;2-[1-methyl-5-(trifluoromethyl)indazol-3-yl]-5H-pyrrolo[2,3-b]pyrazine-7-carboxylic acid
CID 160447055
1-benzyl-N-[5-[3-[(3,3-difluoropiperidin-1-yl)methyl]phenyl]-1H-pyrrolo[2,3-b]pyridin-3-yl]pyrazole-4-carboxamide;1-benzylpyrazole-4-carboxylic acid
CID 160769992
1-[2-(ethylcarbamoylamino)-6-pyridin-3-yl-1H-benzimidazol-4-yl]pyrazole-4-carboxylic acid
CID 11257822
1-[2-(ethylcarbamoylamino)-6-(1-methyl-6-oxopyrimidin-4-yl)-1H-benzimidazol-4-yl]pyrazole-4-carboxylic acid
CID 44131485
7-(7-Indolylamino)-6-(4-phenylpiperidine-1-carbonyl)pyrazolo[1,5-a]pyrimidine-3-carboxylic acid
CID 67540375
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
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
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
1-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]-3-[1-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]-4-[(4,6-dimethyl-1H-indol-5-yl)methylcarbamoyl]pyrazol-3-yl]-N-[(4,6-dimethyl-1H-indol-5-yl)methyl]pyrazole-4-carboxamide
CID 156179772
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
8-[5-acetyl-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]imidazo[1,2-a]pyridine-2-carboxylic acid;1-[3-[3-(1-methylpyrazol-4-yl)isoquinolin-8-yl]-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]propan-1-one;1-[3-[2-(1-methylpyrazol-4-yl)-1,3,4,5-tetrahydro-2-benzazepin-6-yl]-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]propan-1-one;1-[1-(oxan-4-yl)-3-(2-pyridin-3-yl-1H-benzimidazol-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone
CID 157257467

Frequently Asked Questions

What is the IUPAC name of 1-[4-[4-(dimethylamino)-2-pyridinyl]-6-pyridin-3-yl-1H-benzimidazol-2-yl]-3-ethylurea;1-[6-(1,4-dimethyl-5-oxoimidazo[4,5-b]pyridin-7-yl)-4-pyrazol-1-yl-1H-benzimidazol-2-yl]-3-ethylurea;1-[2-(ethylcarbamoylamino)-6-(1-methyl-6-oxopyrimidin-4-yl)-1H-benzimidazol-4-yl]pyrazole-4-carboxylic acid?
The IUPAC name of 1-[4-[4-(dimethylamino)-2-pyridinyl]-6-pyridin-3-yl-1H-benzimidazol-2-yl]-3-ethylurea;1-[6-(1,4-dimethyl-5-oxoimidazo[4,5-b]pyridin-7-yl)-4-pyrazol-1-yl-1H-benzimidazol-2-yl]-3-ethylurea;1-[2-(ethylcarbamoylamino)-6-(1-methyl-6-oxopyrimidin-4-yl)-1H-benzimidazol-4-yl]pyrazole-4-carboxylic acid (CID 157306676) is 1-[4-[4-(dimethylamino)-2-pyridinyl]-6-pyridin-3-yl-1H-benzimidazol-2-yl]-3-ethylurea;1-[6-(1,4-dimethyl-5-oxoimidazo[4,5-b]pyridin-7-yl)-4-pyrazol-1-yl-1H-benzimidazol-2-yl]-3-ethylurea;1-[2-(ethylcarbamoylamino)-6-(1-methyl-6-oxopyrimidin-4-yl)-1H-benzimidazol-4-yl]pyrazole-4-carboxylic acid.
What is the SMILES notation for 1-[4-[4-(dimethylamino)-2-pyridinyl]-6-pyridin-3-yl-1H-benzimidazol-2-yl]-3-ethylurea;1-[6-(1,4-dimethyl-5-oxoimidazo[4,5-b]pyridin-7-yl)-4-pyrazol-1-yl-1H-benzimidazol-2-yl]-3-ethylurea;1-[2-(ethylcarbamoylamino)-6-(1-methyl-6-oxopyrimidin-4-yl)-1H-benzimidazol-4-yl]pyrazole-4-carboxylic acid?
The canonical SMILES for 1-[4-[4-(dimethylamino)-2-pyridinyl]-6-pyridin-3-yl-1H-benzimidazol-2-yl]-3-ethylurea;1-[6-(1,4-dimethyl-5-oxoimidazo[4,5-b]pyridin-7-yl)-4-pyrazol-1-yl-1H-benzimidazol-2-yl]-3-ethylurea;1-[2-(ethylcarbamoylamino)-6-(1-methyl-6-oxopyrimidin-4-yl)-1H-benzimidazol-4-yl]pyrazole-4-carboxylic acid is CCNC(=O)Nc1nc2c(-c3cc(N(C)C)ccn3)cc(-c3cccnc3)cc2[nH]1.CCNC(=O)Nc1nc2c(-n3cc(C(=O)O)cn3)cc(-c3cc(=O)n(C)cn3)cc2[nH]1.CCNC(=O)Nc1nc2c(-n3cccn3)cc(-c3cc(=O)n(C)c4ncn(C)c34)cc2[nH]1.
What is the InChIKey of 1-[4-[4-(dimethylamino)-2-pyridinyl]-6-pyridin-3-yl-1H-benzimidazol-2-yl]-3-ethylurea;1-[6-(1,4-dimethyl-5-oxoimidazo[4,5-b]pyridin-7-yl)-4-pyrazol-1-yl-1H-benzimidazol-2-yl]-3-ethylurea;1-[2-(ethylcarbamoylamino)-6-(1-methyl-6-oxopyrimidin-4-yl)-1H-benzimidazol-4-yl]pyrazole-4-carboxylic acid?
The InChIKey is BCODOTVFTGHCNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N7O.C21H21N9O2.C19H18N8O4/c1-4-24-22(30)28-21-26-19-11-15(14-6-5-8-23-13-14)10-17(20(19)27-21)18-12-16(29(2)3)7-9-25-18;1-4-22-21(32)27-20-25-14-8-12(9-15(17(14)26-20)30-7-5-6-24-30)13-10-16(31)29(3)19-18(13)28(2)11-23-19;1-3-20-19(31)25-18-23-13-4-10(12-6-15(28)26(2)9-21-12)5-14(16(13)24-18)27-8-11(7-22-27)17(29)30/h5-13H,4H2,1-3H3,(H3,24,26,27,28,30);5-11H,4H2,1-3H3,(H3,22,25,26,27,32);4-9H,3H2,1-2H3,(H,29,30)(H3,20,23,24,25,31).
What are the key properties of 1-[4-[4-(dimethylamino)-2-pyridinyl]-6-pyridin-3-yl-1H-benzimidazol-2-yl]-3-ethylurea;1-[6-(1,4-dimethyl-5-oxoimidazo[4,5-b]pyridin-7-yl)-4-pyrazol-1-yl-1H-benzimidazol-2-yl]-3-ethylurea;1-[2-(ethylcarbamoylamino)-6-(1-methyl-6-oxopyrimidin-4-yl)-1H-benzimidazol-4-yl]pyrazole-4-carboxylic acid?
1-[4-[4-(dimethylamino)-2-pyridinyl]-6-pyridin-3-yl-1H-benzimidazol-2-yl]-3-ethylurea;1-[6-(1,4-dimethyl-5-oxoimidazo[4,5-b]pyridin-7-yl)-4-pyrazol-1-yl-1H-benzimidazol-2-yl]-3-ethylurea;1-[2-(ethylcarbamoylamino)-6-(1-methyl-6-oxopyrimidin-4-yl)-1H-benzimidazol-4-yl]pyrazole-4-carboxylic acid has a molecular weight of 1255.34 g/mol, XLogP of 7.39, 14 rotatable bonds, 10 hydrogen bond donors, and 21 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[4-(dimethylamino)-2-pyridinyl]-6-pyridin-3-yl-1H-benzimidazol-2-yl]-3-ethylurea;1-[6-(1,4-dimethyl-5-oxoimidazo[4,5-b]pyridin-7-yl)-4-pyrazol-1-yl-1H-benzimidazol-2-yl]-3-ethylurea;1-[2-(ethylcarbamoylamino)-6-(1-methyl-6-oxopyrimidin-4-yl)-1H-benzimidazol-4-yl]pyrazole-4-carboxylic acid is sourced from PubChem (CID 157306676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).