ethyl N-[6-[6-[[(2S,6R)-2,6-dimethylmorpholin-4-yl]methyl]-3-pyridinyl]-4-pyrimidin-2-yl-1H-benzimidazol-2-yl]carbamate;ethyl N-[6-[6-[[ethyl(2-methoxyethyl)amino]methyl]-3-pyridinyl]-4-pyrimidin-2-yl-1H-benzimidazol-2-yl]carbamate;1-ethyl-3-[6-(1-methyl-2-oxo-4-pyridinyl)-4-pyrimidin-2-yl-1H-benzimidazol-2-yl]urea;ethyl N-(6-pyridin-3-yl-4-pyrimidin-2-yl-1H-benzimidazol-2-yl)carbamate

C90H93N27O10 — CID 157283309

IUPACethyl N-[6-[6-[[(2S,6R)-2,6-dimethylmorpholin-4-yl]methyl]-3-pyridinyl]-4-pyrimidin-2-yl-1H-benzimidazol-2-yl]carbamate;ethyl N-[6-[6-[[ethyl(2-methoxyethyl)amino]methyl]-3-pyridinyl]-4-pyrimidin-2-yl-1H-benzimidazol-2-yl]carbamate;1-ethyl-3-[6-(1-methyl-2-oxo-4-pyridinyl)-4-pyrimidin-2-yl-1H-benzimidazol-2-yl]urea;ethyl N-(6-pyridin-3-yl-4-pyrimidin-2-yl-1H-benzimidazol-2-yl)carbamate
SMILESCCNC(=O)Nc1nc2c(-c3ncccn3)cc(-c3ccn(C)c(=O)c3)cc2[nH]1.CCOC(=O)Nc1nc2c(-c3ncccn3)cc(-c3ccc(CN(CC)CCOC)nc3)cc2[nH]1.CCOC(=O)Nc1nc2c(-c3ncccn3)cc(-c3ccc(CN4C[C@@H](C)O[C@@H](C)C4)nc3)cc2[nH]1.CCOC(=O)Nc1nc2c(-c3ncccn3)cc(-c3cccnc3)cc2[nH]1
InChIInChI=1S/C26H29N7O3.C25H29N7O3.C20H19N7O2.C19H16N6O2/c1-4-35-26(34)32-25-30-22-11-19(10-21(23(22)31-25)24-27-8-5-9-28-24)18-6-7-20(29-12-18)15-33-13-16(2)36-17(3)14-33;1-4-32(11-12-34-3)16-19-8-7-17(15-28-19)18-13-20(23-26-9-6-10-27-23)22-21(14-18)29-24(30-22)31-25(33)35-5-2;1-3-21-20(29)26-19-24-15-10-13(12-5-8-27(2)16(28)11-12)9-14(17(15)25-19)18-22-6-4-7-23-18;1-2-27-19(26)25-18-23-15-10-13(12-5-3-6-20-11-12)9-14(16(15)24-18)17-21-7-4-8-22-17/h5-12,16-17H,4,13-15H2,1-3H3,(H2,30,31,32,34);6-10,13-15H,4-5,11-12,16H2,1-3H3,(H2,29,30,31,33);4-11H,3H2,1-2H3,(H3,21,24,25,26,29);3-11H,2H2,1H3,(H2,23,24,25,26)/t16-,17+;;;
InChIKeyAZXWGLPTCDTFMF-HHIRZUMWSA-N
MW1712.91 g/mol
LogP14.56
Rot. Bonds24

About ethyl N-[6-[6-[[(2S,6R)-2,6-dimethylmorpholin-4-yl]methyl]-3-pyridinyl]-4-pyrimidin-2-yl-1H-benzimidazol-2-yl]carbamate;ethyl N-[6-[6-[[ethyl(2-methoxyethyl)amino]methyl]-3-pyridinyl]-4-pyrimidin-2-yl-1H-benzimidazol-2-yl]carbamate;1-ethyl-3-[6-(1-methyl-2-oxo-4-pyridinyl)-4-pyrimidin-2-yl-1H-benzimidazol-2-yl]urea;ethyl N-(6-pyridin-3-yl-4-pyrimidin-2-yl-1H-benzimidazol-2-yl)carbamate

ethyl N-[6-[6-[[(2S,6R)-2,6-dimethylmorpholin-4-yl]methyl]-3-pyridinyl]-4-pyrimidin-2-yl-1H-benzimidazol-2-yl]carbamate;ethyl N-[6-[6-[[ethyl(2-methoxyethyl)amino]methyl]-3-pyridinyl]-4-pyrimidin-2-yl-1H-benzimidazol-2-yl]carbamate;1-ethyl-3-[6-(1-methyl-2-oxo-4-pyridinyl)-4-pyrimidin-2-yl-1H-benzimidazol-2-yl]urea;ethyl N-(6-pyridin-3-yl-4-pyrimidin-2-yl-1H-benzimidazol-2-yl)carbamate (PubChem CID 157283309) has the molecular formula C90H93N27O10 and a molecular weight of 1712.91 g/mol. Its IUPAC name is ethyl N-[6-[6-[[(2S,6R)-2,6-dimethylmorpholin-4-yl]methyl]-3-pyridinyl]-4-pyrimidin-2-yl-1H-benzimidazol-2-yl]carbamate;ethyl N-[6-[6-[[ethyl(2-methoxyethyl)amino]methyl]-3-pyridinyl]-4-pyrimidin-2-yl-1H-benzimidazol-2-yl]carbamate;1-ethyl-3-[6-(1-methyl-2-oxo-4-pyridinyl)-4-pyrimidin-2-yl-1H-benzimidazol-2-yl]urea;ethyl N-(6-pyridin-3-yl-4-pyrimidin-2-yl-1H-benzimidazol-2-yl)carbamate.

Molecular Properties

Compound Nameethyl N-[6-[6-[[(2S,6R)-2,6-dimethylmorpholin-4-yl]methyl]-3-pyridinyl]-4-pyrimidin-2-yl-1H-benzimidazol-2-yl]carbamate;ethyl N-[6-[6-[[ethyl(2-methoxyethyl)amino]methyl]-3-pyridinyl]-4-pyrimidin-2-yl-1H-benzimidazol-2-yl]carbamate;1-ethyl-3-[6-(1-methyl-2-oxo-4-pyridinyl)-4-pyrimidin-2-yl-1H-benzimidazol-2-yl]urea;ethyl N-(6-pyridin-3-yl-4-pyrimidin-2-yl-1H-benzimidazol-2-yl)carbamate
PubChem CID157283309
Molecular FormulaC90H93N27O10
Molecular Weight1712.91 g/mol
Exact Mass1711.76
IUPAC Nameethyl N-[6-[6-[[(2S,6R)-2,6-dimethylmorpholin-4-yl]methyl]-3-pyridinyl]-4-pyrimidin-2-yl-1H-benzimidazol-2-yl]carbamate;ethyl N-[6-[6-[[ethyl(2-methoxyethyl)amino]methyl]-3-pyridinyl]-4-pyrimidin-2-yl-1H-benzimidazol-2-yl]carbamate;1-ethyl-3-[6-(1-methyl-2-oxo-4-pyridinyl)-4-pyrimidin-2-yl-1H-benzimidazol-2-yl]urea;ethyl N-(6-pyridin-3-yl-4-pyrimidin-2-yl-1H-benzimidazol-2-yl)carbamate
SMILESCCNC(=O)Nc1nc2c(-c3ncccn3)cc(-c3ccn(C)c(=O)c3)cc2[nH]1.CCOC(=O)Nc1nc2c(-c3ncccn3)cc(-c3ccc(CN(CC)CCOC)nc3)cc2[nH]1.CCOC(=O)Nc1nc2c(-c3ncccn3)cc(-c3ccc(CN4C[C@@H](C)O[C@@H](C)C4)nc3)cc2[nH]1.CCOC(=O)Nc1nc2c(-c3ncccn3)cc(-c3cccnc3)cc2[nH]1
InChIInChI=1S/C26H29N7O3.C25H29N7O3.C20H19N7O2.C19H16N6O2/c1-4-35-26(34)32-25-30-22-11-19(10-21(23(22)31-25)24-27-8-5-9-28-24)18-6-7-20(29-12-18)15-33-13-16(2)36-17(3)14-33;1-4-32(11-12-34-3)16-19-8-7-17(15-28-19)18-13-20(23-26-9-6-10-27-23)22-21(14-18)29-24(30-22)31-25(33)35-5-2;1-3-21-20(29)26-19-24-15-10-13(12-5-8-27(2)16(28)11-12)9-14(17(15)25-19)18-22-6-4-7-23-18;1-2-27-19(26)25-18-23-15-10-13(12-5-3-6-20-11-12)9-14(16(15)24-18)17-21-7-4-8-22-17/h5-12,16-17H,4,13-15H2,1-3H3,(H2,30,31,32,34);6-10,13-15H,4-5,11-12,16H2,1-3H3,(H2,29,30,31,33);4-11H,3H2,1-2H3,(H3,21,24,25,26,29);3-11H,2H2,1H3,(H2,23,24,25,26)/t16-,17+;;;
InChIKeyAZXWGLPTCDTFMF-HHIRZUMWSA-N
XLogP14.56
TPSA459.57 Ų
H-Bond Donors9
H-Bond Acceptors28
Rotatable Bonds24
Heavy Atoms127
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001712.91
LogP ≤ 514.56
H-Bond Donors ≤ 59
H-Bond Acceptors ≤ 1028

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}

Analyze ethyl N-[6-[6-[[(2S,6R)-2,6-dimethylmorpholin-4-yl]methyl]-3-pyridinyl]-4-pyrimidin-2-yl-1H-benzimidazol-2-yl]carbamate;ethyl N-[6-[6-[[ethyl(2-methoxyethyl)amino]methyl]-3-pyridinyl]-4-pyrimidin-2-yl-1H-benzimidazol-2-yl]carbamate;1-ethyl-3-[6-(1-methyl-2-oxo-4-pyridinyl)-4-pyrimidin-2-yl-1H-benzimidazol-2-yl]urea;ethyl N-(6-pyridin-3-yl-4-pyrimidin-2-yl-1H-benzimidazol-2-yl)carbamate with MolForge

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Launch Full Analysis

Related Compounds

methyl N-[(1S)-1-[[(2S)-2-[6-[2-[2-[(2S)-1-[(2S)-2-(methoxycarbonylamino)-3-methylbutanoyl]pyrrolidin-2-yl]-1H-imidazol-5-yl]quinolin-6-yl]-1H-benzimidazol-2-yl]pyrrolidine-1-carbonyl]amino]-2-methylpropyl]carbamate
CID 155532818
1-ethyl-3-[4-(3-fluoro-2-pyridinyl)-6-[2-(morpholin-4-ylmethyl)pyrimidin-5-yl]-1H-benzimidazol-2-yl]urea
CID 56643680
ethyl N-[4-pyrimidin-2-yl-6-[6-[[4-(3,3,3-trifluoropropanoyl)piperazin-1-yl]methyl]pyridin-3-yl]-1H-benzimidazol-2-yl]carbamate
CID 11157349
1-ethyl-3-[4-(3-fluoro-2-pyridinyl)-6-[6-[(3-oxo-5,6,8,8a-tetrahydro-1H-[1,3]oxazolo[3,4-a]pyrazin-7-yl)methyl]-3-pyridinyl]-1H-benzimidazol-2-yl]urea
CID 11627907
1-[6-[2-[(4-benzylmorpholin-2-yl)methoxy]pyrimidin-5-yl]-4-(3-fluoro-2-pyridinyl)-1H-benzimidazol-2-yl]-3-ethylurea
CID 11664274
ethyl N-[4-(3-fluoro-2-pyridinyl)-6-[2-[(4-methyl-3-oxopiperazin-1-yl)methyl]pyrimidin-5-yl]-1H-benzimidazol-2-yl]carbamate
CID 11670618
ethyl N-[4-(3-fluoro-2-pyridinyl)-6-[2-(2-morpholin-4-ylethylamino)pyrimidin-5-yl]-1H-benzimidazol-2-yl]carbamate
CID 53476696
ethyl N-[4-(3-fluoro-2-pyridinyl)-6-[2-(morpholin-4-ylmethyl)pyrimidin-5-yl]-1H-benzimidazol-2-yl]carbamate
CID 57566573
ethyl 4-[[5-[2-(ethylcarbamoylamino)-7-(3-fluoro-2-pyridinyl)-3H-benzimidazol-5-yl]pyrimidin-2-yl]methyl-methylamino]piperidine-1-carboxylate
CID 57795131
methyl N-[(2S,3R)-1-[(2S)-2-[6-[(2R,5R)-1-[2-[4-(2,6-difluorophenyl)piperidin-1-yl]-1,3-difluoropyrimidine-1,3-diium-5-yl]-5-[6-fluoro-2-[(2S)-1-[(2S,3R)-3-methoxy-2-(methoxycarbonylamino)butanoyl]pyrrolidin-2-yl]-3H-benzimidazol-5-yl]pyrrolidin-2-yl]-5-fluoro-1H-benzimidazol-2-yl]pyrrolidin-1-yl]-3-methoxy-1-oxobutan-2-yl]carbamate
CID 58032079
5-[2,6-bis[(3S)-3-methylmorpholin-4-yl]-7H-purin-8-yl]-1,3-dihydrobenzimidazol-2-one;(3S)-4-[2-(4,4-difluoropiperidin-1-yl)-8-(1H-indol-4-yl)-7H-purin-6-yl]-3-methylmorpholine
CID 88925583
1-ethyl-3-[4-(3-fluoro-2-pyridinyl)-6-[2-(3-morpholin-4-ylpropyl)pyrimidin-5-yl]-1H-benzimidazol-2-yl]urea
CID 123551859

Frequently Asked Questions

What is the IUPAC name of ethyl N-[6-[6-[[(2S,6R)-2,6-dimethylmorpholin-4-yl]methyl]-3-pyridinyl]-4-pyrimidin-2-yl-1H-benzimidazol-2-yl]carbamate;ethyl N-[6-[6-[[ethyl(2-methoxyethyl)amino]methyl]-3-pyridinyl]-4-pyrimidin-2-yl-1H-benzimidazol-2-yl]carbamate;1-ethyl-3-[6-(1-methyl-2-oxo-4-pyridinyl)-4-pyrimidin-2-yl-1H-benzimidazol-2-yl]urea;ethyl N-(6-pyridin-3-yl-4-pyrimidin-2-yl-1H-benzimidazol-2-yl)carbamate?
The IUPAC name of ethyl N-[6-[6-[[(2S,6R)-2,6-dimethylmorpholin-4-yl]methyl]-3-pyridinyl]-4-pyrimidin-2-yl-1H-benzimidazol-2-yl]carbamate;ethyl N-[6-[6-[[ethyl(2-methoxyethyl)amino]methyl]-3-pyridinyl]-4-pyrimidin-2-yl-1H-benzimidazol-2-yl]carbamate;1-ethyl-3-[6-(1-methyl-2-oxo-4-pyridinyl)-4-pyrimidin-2-yl-1H-benzimidazol-2-yl]urea;ethyl N-(6-pyridin-3-yl-4-pyrimidin-2-yl-1H-benzimidazol-2-yl)carbamate (CID 157283309) is ethyl N-[6-[6-[[(2S,6R)-2,6-dimethylmorpholin-4-yl]methyl]-3-pyridinyl]-4-pyrimidin-2-yl-1H-benzimidazol-2-yl]carbamate;ethyl N-[6-[6-[[ethyl(2-methoxyethyl)amino]methyl]-3-pyridinyl]-4-pyrimidin-2-yl-1H-benzimidazol-2-yl]carbamate;1-ethyl-3-[6-(1-methyl-2-oxo-4-pyridinyl)-4-pyrimidin-2-yl-1H-benzimidazol-2-yl]urea;ethyl N-(6-pyridin-3-yl-4-pyrimidin-2-yl-1H-benzimidazol-2-yl)carbamate.
What is the SMILES notation for ethyl N-[6-[6-[[(2S,6R)-2,6-dimethylmorpholin-4-yl]methyl]-3-pyridinyl]-4-pyrimidin-2-yl-1H-benzimidazol-2-yl]carbamate;ethyl N-[6-[6-[[ethyl(2-methoxyethyl)amino]methyl]-3-pyridinyl]-4-pyrimidin-2-yl-1H-benzimidazol-2-yl]carbamate;1-ethyl-3-[6-(1-methyl-2-oxo-4-pyridinyl)-4-pyrimidin-2-yl-1H-benzimidazol-2-yl]urea;ethyl N-(6-pyridin-3-yl-4-pyrimidin-2-yl-1H-benzimidazol-2-yl)carbamate?
The canonical SMILES for ethyl N-[6-[6-[[(2S,6R)-2,6-dimethylmorpholin-4-yl]methyl]-3-pyridinyl]-4-pyrimidin-2-yl-1H-benzimidazol-2-yl]carbamate;ethyl N-[6-[6-[[ethyl(2-methoxyethyl)amino]methyl]-3-pyridinyl]-4-pyrimidin-2-yl-1H-benzimidazol-2-yl]carbamate;1-ethyl-3-[6-(1-methyl-2-oxo-4-pyridinyl)-4-pyrimidin-2-yl-1H-benzimidazol-2-yl]urea;ethyl N-(6-pyridin-3-yl-4-pyrimidin-2-yl-1H-benzimidazol-2-yl)carbamate is CCNC(=O)Nc1nc2c(-c3ncccn3)cc(-c3ccn(C)c(=O)c3)cc2[nH]1.CCOC(=O)Nc1nc2c(-c3ncccn3)cc(-c3ccc(CN(CC)CCOC)nc3)cc2[nH]1.CCOC(=O)Nc1nc2c(-c3ncccn3)cc(-c3ccc(CN4C[C@@H](C)O[C@@H](C)C4)nc3)cc2[nH]1.CCOC(=O)Nc1nc2c(-c3ncccn3)cc(-c3cccnc3)cc2[nH]1.
What is the InChIKey of ethyl N-[6-[6-[[(2S,6R)-2,6-dimethylmorpholin-4-yl]methyl]-3-pyridinyl]-4-pyrimidin-2-yl-1H-benzimidazol-2-yl]carbamate;ethyl N-[6-[6-[[ethyl(2-methoxyethyl)amino]methyl]-3-pyridinyl]-4-pyrimidin-2-yl-1H-benzimidazol-2-yl]carbamate;1-ethyl-3-[6-(1-methyl-2-oxo-4-pyridinyl)-4-pyrimidin-2-yl-1H-benzimidazol-2-yl]urea;ethyl N-(6-pyridin-3-yl-4-pyrimidin-2-yl-1H-benzimidazol-2-yl)carbamate?
The InChIKey is AZXWGLPTCDTFMF-HHIRZUMWSA-N. The full InChI is InChI=1S/C26H29N7O3.C25H29N7O3.C20H19N7O2.C19H16N6O2/c1-4-35-26(34)32-25-30-22-11-19(10-21(23(22)31-25)24-27-8-5-9-28-24)18-6-7-20(29-12-18)15-33-13-16(2)36-17(3)14-33;1-4-32(11-12-34-3)16-19-8-7-17(15-28-19)18-13-20(23-26-9-6-10-27-23)22-21(14-18)29-24(30-22)31-25(33)35-5-2;1-3-21-20(29)26-19-24-15-10-13(12-5-8-27(2)16(28)11-12)9-14(17(15)25-19)18-22-6-4-7-23-18;1-2-27-19(26)25-18-23-15-10-13(12-5-3-6-20-11-12)9-14(16(15)24-18)17-21-7-4-8-22-17/h5-12,16-17H,4,13-15H2,1-3H3,(H2,30,31,32,34);6-10,13-15H,4-5,11-12,16H2,1-3H3,(H2,29,30,31,33);4-11H,3H2,1-2H3,(H3,21,24,25,26,29);3-11H,2H2,1H3,(H2,23,24,25,26)/t16-,17+;;;.
What are the key properties of ethyl N-[6-[6-[[(2S,6R)-2,6-dimethylmorpholin-4-yl]methyl]-3-pyridinyl]-4-pyrimidin-2-yl-1H-benzimidazol-2-yl]carbamate;ethyl N-[6-[6-[[ethyl(2-methoxyethyl)amino]methyl]-3-pyridinyl]-4-pyrimidin-2-yl-1H-benzimidazol-2-yl]carbamate;1-ethyl-3-[6-(1-methyl-2-oxo-4-pyridinyl)-4-pyrimidin-2-yl-1H-benzimidazol-2-yl]urea;ethyl N-(6-pyridin-3-yl-4-pyrimidin-2-yl-1H-benzimidazol-2-yl)carbamate?
ethyl N-[6-[6-[[(2S,6R)-2,6-dimethylmorpholin-4-yl]methyl]-3-pyridinyl]-4-pyrimidin-2-yl-1H-benzimidazol-2-yl]carbamate;ethyl N-[6-[6-[[ethyl(2-methoxyethyl)amino]methyl]-3-pyridinyl]-4-pyrimidin-2-yl-1H-benzimidazol-2-yl]carbamate;1-ethyl-3-[6-(1-methyl-2-oxo-4-pyridinyl)-4-pyrimidin-2-yl-1H-benzimidazol-2-yl]urea;ethyl N-(6-pyridin-3-yl-4-pyrimidin-2-yl-1H-benzimidazol-2-yl)carbamate has a molecular weight of 1712.91 g/mol, XLogP of 14.56, 24 rotatable bonds, 9 hydrogen bond donors, and 28 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-[6-[6-[[(2S,6R)-2,6-dimethylmorpholin-4-yl]methyl]-3-pyridinyl]-4-pyrimidin-2-yl-1H-benzimidazol-2-yl]carbamate;ethyl N-[6-[6-[[ethyl(2-methoxyethyl)amino]methyl]-3-pyridinyl]-4-pyrimidin-2-yl-1H-benzimidazol-2-yl]carbamate;1-ethyl-3-[6-(1-methyl-2-oxo-4-pyridinyl)-4-pyrimidin-2-yl-1H-benzimidazol-2-yl]urea;ethyl N-(6-pyridin-3-yl-4-pyrimidin-2-yl-1H-benzimidazol-2-yl)carbamate is sourced from PubChem (CID 157283309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).