1-[2-(dimethylamino)ethyl]-1-[(3-methoxyphenyl)methyl]-3-(5-pyridin-4-yl-1H-pyrazol-3-yl)urea;1-[(3-fluorophenyl)methyl]-3-(1-pyridin-4-ylpyrazol-4-yl)urea;1-(2-hydroxyethyl)-1-[(3-methoxyphenyl)methyl]-3-(1-pyridin-4-ylpyrazol-4-yl)urea;1-[2-hydroxy-1-(3-methoxyphenyl)ethyl]-3-(1-pyridin-4-ylpyrazol-4-yl)urea;1-[1-(3-methoxyphenyl)ethyl]-3-(1-pyridin-4-ylpyrazol-4-yl)urea;3-[(3-methoxyphenyl)methyl]-1-methyl-1-(5-pyridin-4-yl-1H-pyrazol-3-yl)urea;1-[(3-methoxyphenyl)methyl]-3-(1-pyridin-4-ylpyrazol-4-yl)urea

C127H135FN36O15 — CID 158410754

IUPAC1-[2-(dimethylamino)ethyl]-1-[(3-methoxyphenyl)methyl]-3-(5-pyridin-4-yl-1H-pyrazol-3-yl)urea;1-[(3-fluorophenyl)methyl]-3-(1-pyridin-4-ylpyrazol-4-yl)urea;1-(2-hydroxyethyl)-1-[(3-methoxyphenyl)methyl]-3-(1-pyridin-4-ylpyrazol-4-yl)urea;1-[2-hydroxy-1-(3-methoxyphenyl)ethyl]-3-(1-pyridin-4-ylpyrazol-4-yl)urea;1-[1-(3-methoxyphenyl)ethyl]-3-(1-pyridin-4-ylpyrazol-4-yl)urea;3-[(3-methoxyphenyl)methyl]-1-methyl-1-(5-pyridin-4-yl-1H-pyrazol-3-yl)urea;1-[(3-methoxyphenyl)methyl]-3-(1-pyridin-4-ylpyrazol-4-yl)urea
SMILESCOc1cccc(C(C)NC(=O)Nc2cnn(-c3ccncc3)c2)c1.COc1cccc(C(CO)NC(=O)Nc2cnn(-c3ccncc3)c2)c1.COc1cccc(CN(CCN(C)C)C(=O)Nc2cc(-c3ccncc3)[nH]n2)c1.COc1cccc(CN(CCO)C(=O)Nc2cnn(-c3ccncc3)c2)c1.COc1cccc(CNC(=O)N(C)c2cc(-c3ccncc3)[nH]n2)c1.COc1cccc(CNC(=O)Nc2cnn(-c3ccncc3)c2)c1.O=C(NCc1cccc(F)c1)Nc1cnn(-c2ccncc2)c1
InChIInChI=1S/C21H26N6O2.C19H21N5O3.C18H19N5O3.2C18H19N5O2.C17H17N5O2.C16H14FN5O/c1-26(2)11-12-27(15-16-5-4-6-18(13-16)29-3)21(28)23-20-14-19(24-25-20)17-7-9-22-10-8-17;1-27-18-4-2-3-15(11-18)13-23(9-10-25)19(26)22-16-12-21-24(14-16)17-5-7-20-8-6-17;1-26-16-4-2-3-13(9-16)17(12-24)22-18(25)21-14-10-20-23(11-14)15-5-7-19-8-6-15;1-23(17-11-16(21-22-17)14-6-8-19-9-7-14)18(24)20-12-13-4-3-5-15(10-13)25-2;1-13(14-4-3-5-17(10-14)25-2)21-18(24)22-15-11-20-23(12-15)16-6-8-19-9-7-16;1-24-16-4-2-3-13(9-16)10-19-17(23)21-14-11-20-22(12-14)15-5-7-18-8-6-15;17-13-3-1-2-12(8-13)9-19-16(23)21-14-10-20-22(11-14)15-4-6-18-7-5-15/h4-10,13-14H,11-12,15H2,1-3H3,(H2,23,24,25,28);2-8,11-12,14,25H,9-10,13H2,1H3,(H,22,26);2-11,17,24H,12H2,1H3,(H2,21,22,25);3-11H,12H2,1-2H3,(H,20,24)(H,21,22);3-13H,1-2H3,(H2,21,22,24);2-9,11-12H,10H2,1H3,(H2,19,21,23);1-8,10-11H,9H2,(H2,19,21,23)
InChIKeyGZGXNEJPMZALLG-UHFFFAOYSA-N
MW2424.71 g/mol
LogP18.82
Rot. Bonds40

About 1-[2-(dimethylamino)ethyl]-1-[(3-methoxyphenyl)methyl]-3-(5-pyridin-4-yl-1H-pyrazol-3-yl)urea;1-[(3-fluorophenyl)methyl]-3-(1-pyridin-4-ylpyrazol-4-yl)urea;1-(2-hydroxyethyl)-1-[(3-methoxyphenyl)methyl]-3-(1-pyridin-4-ylpyrazol-4-yl)urea;1-[2-hydroxy-1-(3-methoxyphenyl)ethyl]-3-(1-pyridin-4-ylpyrazol-4-yl)urea;1-[1-(3-methoxyphenyl)ethyl]-3-(1-pyridin-4-ylpyrazol-4-yl)urea;3-[(3-methoxyphenyl)methyl]-1-methyl-1-(5-pyridin-4-yl-1H-pyrazol-3-yl)urea;1-[(3-methoxyphenyl)methyl]-3-(1-pyridin-4-ylpyrazol-4-yl)urea

1-[2-(dimethylamino)ethyl]-1-[(3-methoxyphenyl)methyl]-3-(5-pyridin-4-yl-1H-pyrazol-3-yl)urea;1-[(3-fluorophenyl)methyl]-3-(1-pyridin-4-ylpyrazol-4-yl)urea;1-(2-hydroxyethyl)-1-[(3-methoxyphenyl)methyl]-3-(1-pyridin-4-ylpyrazol-4-yl)urea;1-[2-hydroxy-1-(3-methoxyphenyl)ethyl]-3-(1-pyridin-4-ylpyrazol-4-yl)urea;1-[1-(3-methoxyphenyl)ethyl]-3-(1-pyridin-4-ylpyrazol-4-yl)urea;3-[(3-methoxyphenyl)methyl]-1-methyl-1-(5-pyridin-4-yl-1H-pyrazol-3-yl)urea;1-[(3-methoxyphenyl)methyl]-3-(1-pyridin-4-ylpyrazol-4-yl)urea (PubChem CID 158410754) has the molecular formula C127H135FN36O15 and a molecular weight of 2424.71 g/mol. Its IUPAC name is 1-[2-(dimethylamino)ethyl]-1-[(3-methoxyphenyl)methyl]-3-(5-pyridin-4-yl-1H-pyrazol-3-yl)urea;1-[(3-fluorophenyl)methyl]-3-(1-pyridin-4-ylpyrazol-4-yl)urea;1-(2-hydroxyethyl)-1-[(3-methoxyphenyl)methyl]-3-(1-pyridin-4-ylpyrazol-4-yl)urea;1-[2-hydroxy-1-(3-methoxyphenyl)ethyl]-3-(1-pyridin-4-ylpyrazol-4-yl)urea;1-[1-(3-methoxyphenyl)ethyl]-3-(1-pyridin-4-ylpyrazol-4-yl)urea;3-[(3-methoxyphenyl)methyl]-1-methyl-1-(5-pyridin-4-yl-1H-pyrazol-3-yl)urea;1-[(3-methoxyphenyl)methyl]-3-(1-pyridin-4-ylpyrazol-4-yl)urea.

Molecular Properties

Compound Name1-[2-(dimethylamino)ethyl]-1-[(3-methoxyphenyl)methyl]-3-(5-pyridin-4-yl-1H-pyrazol-3-yl)urea;1-[(3-fluorophenyl)methyl]-3-(1-pyridin-4-ylpyrazol-4-yl)urea;1-(2-hydroxyethyl)-1-[(3-methoxyphenyl)methyl]-3-(1-pyridin-4-ylpyrazol-4-yl)urea;1-[2-hydroxy-1-(3-methoxyphenyl)ethyl]-3-(1-pyridin-4-ylpyrazol-4-yl)urea;1-[1-(3-methoxyphenyl)ethyl]-3-(1-pyridin-4-ylpyrazol-4-yl)urea;3-[(3-methoxyphenyl)methyl]-1-methyl-1-(5-pyridin-4-yl-1H-pyrazol-3-yl)urea;1-[(3-methoxyphenyl)methyl]-3-(1-pyridin-4-ylpyrazol-4-yl)urea
PubChem CID158410754
Molecular FormulaC127H135FN36O15
Molecular Weight2424.71 g/mol
Exact Mass2423.09
IUPAC Name1-[2-(dimethylamino)ethyl]-1-[(3-methoxyphenyl)methyl]-3-(5-pyridin-4-yl-1H-pyrazol-3-yl)urea;1-[(3-fluorophenyl)methyl]-3-(1-pyridin-4-ylpyrazol-4-yl)urea;1-(2-hydroxyethyl)-1-[(3-methoxyphenyl)methyl]-3-(1-pyridin-4-ylpyrazol-4-yl)urea;1-[2-hydroxy-1-(3-methoxyphenyl)ethyl]-3-(1-pyridin-4-ylpyrazol-4-yl)urea;1-[1-(3-methoxyphenyl)ethyl]-3-(1-pyridin-4-ylpyrazol-4-yl)urea;3-[(3-methoxyphenyl)methyl]-1-methyl-1-(5-pyridin-4-yl-1H-pyrazol-3-yl)urea;1-[(3-methoxyphenyl)methyl]-3-(1-pyridin-4-ylpyrazol-4-yl)urea
SMILESCOc1cccc(C(C)NC(=O)Nc2cnn(-c3ccncc3)c2)c1.COc1cccc(C(CO)NC(=O)Nc2cnn(-c3ccncc3)c2)c1.COc1cccc(CN(CCN(C)C)C(=O)Nc2cc(-c3ccncc3)[nH]n2)c1.COc1cccc(CN(CCO)C(=O)Nc2cnn(-c3ccncc3)c2)c1.COc1cccc(CNC(=O)N(C)c2cc(-c3ccncc3)[nH]n2)c1.COc1cccc(CNC(=O)Nc2cnn(-c3ccncc3)c2)c1.O=C(NCc1cccc(F)c1)Nc1cnn(-c2ccncc2)c1
InChIInChI=1S/C21H26N6O2.C19H21N5O3.C18H19N5O3.2C18H19N5O2.C17H17N5O2.C16H14FN5O/c1-26(2)11-12-27(15-16-5-4-6-18(13-16)29-3)21(28)23-20-14-19(24-25-20)17-7-9-22-10-8-17;1-27-18-4-2-3-15(11-18)13-23(9-10-25)19(26)22-16-12-21-24(14-16)17-5-7-20-8-6-17;1-26-16-4-2-3-13(9-16)17(12-24)22-18(25)21-14-10-20-23(11-14)15-5-7-19-8-6-15;1-23(17-11-16(21-22-17)14-6-8-19-9-7-14)18(24)20-12-13-4-3-5-15(10-13)25-2;1-13(14-4-3-5-17(10-14)25-2)21-18(24)22-15-11-20-23(12-15)16-6-8-19-9-7-16;1-24-16-4-2-3-13(9-16)10-19-17(23)21-14-11-20-22(12-14)15-5-7-18-8-6-15;17-13-3-1-2-12(8-13)9-19-16(23)21-14-10-20-22(11-14)15-4-6-18-7-5-15/h4-10,13-14H,11-12,15H2,1-3H3,(H2,23,24,25,28);2-8,11-12,14,25H,9-10,13H2,1H3,(H,22,26);2-11,17,24H,12H2,1H3,(H2,21,22,25);3-11H,12H2,1-2H3,(H,20,24)(H,21,22);3-13H,1-2H3,(H2,21,22,24);2-9,11-12H,10H2,1H3,(H2,19,21,23);1-8,10-11H,9H2,(H2,19,21,23)
InChIKeyGZGXNEJPMZALLG-UHFFFAOYSA-N
XLogP18.82
TPSA597.31 Ų
H-Bond Donors15
H-Bond Acceptors35
Rotatable Bonds40
Heavy Atoms179
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002424.71
LogP ≤ 518.82
H-Bond Donors ≤ 515
H-Bond Acceptors ≤ 1035

Analyze 1-[2-(dimethylamino)ethyl]-1-[(3-methoxyphenyl)methyl]-3-(5-pyridin-4-yl-1H-pyrazol-3-yl)urea;1-[(3-fluorophenyl)methyl]-3-(1-pyridin-4-ylpyrazol-4-yl)urea;1-(2-hydroxyethyl)-1-[(3-methoxyphenyl)methyl]-3-(1-pyridin-4-ylpyrazol-4-yl)urea;1-[2-hydroxy-1-(3-methoxyphenyl)ethyl]-3-(1-pyridin-4-ylpyrazol-4-yl)urea;1-[1-(3-methoxyphenyl)ethyl]-3-(1-pyridin-4-ylpyrazol-4-yl)urea;3-[(3-methoxyphenyl)methyl]-1-methyl-1-(5-pyridin-4-yl-1H-pyrazol-3-yl)urea;1-[(3-methoxyphenyl)methyl]-3-(1-pyridin-4-ylpyrazol-4-yl)urea with MolForge

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Related Compounds

1-[2-[[3-(3-fluorophenyl)-3-[(5-pyridin-4-yl-1H-pyrazol-3-yl)carbamoylamino]propoxy]methyl-methylamino]ethyl]-1-[(3-methoxyphenyl)methyl]-3-(5-pyridin-4-yl-1H-pyrazol-3-yl)urea
CID 134535623
N-(5-amino-2-pyridinyl)-4-[7-(trifluoromethyl)-3,4-dihydro-2H-chromen-4-yl]piperazine-1-carboxamide;N-(2-ethylpyrazol-3-yl)-4-[7-(trifluoromethyl)-3,4-dihydro-2H-chromen-4-yl]piperazine-1-carboxamide;N-[6-(methylamino)-3-pyridinyl]-4-[7-(trifluoromethyl)-3,4-dihydro-2H-chromen-4-yl]piperazine-1-carboxamide;N-(2-methylpyrazol-3-yl)-4-[7-(trifluoromethyl)-3,4-dihydro-2H-chromen-4-yl]piperazine-1-carboxamide;N-(5-methyl-1H-pyrazol-3-yl)-4-[7-(trifluoromethyl)-3,4-dihydro-2H-chromen-4-yl]piperazine-1-carboxamide;N-(1H-pyrazol-5-yl)-4-[7-(trifluoromethyl)-3,4-dihydro-2H-chromen-4-yl]piperazine-1-carboxamide
CID 159721327
1-[3-[ethyl-[4-(trifluoromethyl)pyridazin-3-yl]amino]pyrrolidin-1-yl]-2-[4-(hydroxymethyl)phenoxy]ethanone;1-[3-[ethyl-[3-(trifluoromethyl)-2-pyridinyl]amino]pyrrolidin-1-yl]-2-[4-(hydroxymethyl)phenoxy]ethanone;1-[3-[ethyl-[4-(trifluoromethyl)-3-pyridinyl]amino]pyrrolidin-1-yl]-2-[4-(hydroxymethyl)phenoxy]ethanone;N-[1-[2-[4-(hydroxymethyl)phenoxy]acetyl]pyrrolidin-3-yl]-N-[4-(trifluoromethyl)pyridazin-3-yl]acetamide;N-[1-[2-[4-(hydroxymethyl)phenoxy]acetyl]pyrrolidin-3-yl]-N-[3-(trifluoromethyl)-2-pyridinyl]acetamide;N-[1-[2-[4-(hydroxymethyl)phenoxy]acetyl]pyrrolidin-3-yl]-N-[4-(trifluoromethyl)-3-pyridinyl]acetamide
CID 159854451
[6-[6-[(4,4-difluorocyclohexyl)amino]-5-methylpyridazin-3-yl]-3-(4-methylimidazol-1-yl)-2-pyridinyl]methanol;[6-[6-[[(1S)-1-(2-fluorophenyl)butyl]amino]-5-methylpyridazin-3-yl]-3-(4-methylimidazol-1-yl)-2-pyridinyl]methanol;[6-[6-[[(1S)-1-(2-fluorophenyl)propyl]amino]-5-methylpyridazin-3-yl]-3-(4-methylimidazol-1-yl)-2-pyridinyl]methanol;(3S)-3-[[6-[6-(hydroxymethyl)-5-(4-methylimidazol-1-yl)-2-pyridinyl]-4-methylpyridazin-3-yl]amino]-3-(4-methylphenyl)propan-1-ol;methane;[6-[6-[[(1S)-1-(2-methoxy-4-methylphenyl)ethyl]amino]-5-methylpyridazin-3-yl]-3-(4-methylimidazol-1-yl)-2-pyridinyl]methanol
CID 160982818
[6-[6-[[(1S)-1-(2-fluoro-4-methylphenyl)ethyl]amino]-5-methylpyridazin-3-yl]-3-(4-methylimidazol-1-yl)-2-pyridinyl]methanol;[6-[6-[[(1S)-1-(3-methoxy-4-methylphenyl)ethyl]amino]-5-methylpyridazin-3-yl]-3-(4-methylimidazol-1-yl)-2-pyridinyl]methanol;[3-(4-methylimidazol-1-yl)-6-[5-methyl-6-[[(1S)-1-(3-methylphenyl)ethyl]amino]pyridazin-3-yl]-2-pyridinyl]methanol;[3-(4-methylimidazol-1-yl)-6-[5-methyl-6-[[(1S)-1-(4-methylphenyl)ethyl]amino]pyridazin-3-yl]-2-pyridinyl]methanol;[3-(4-methylimidazol-1-yl)-6-[5-methyl-6-[[(1S)-1-[3-methyl-5-(trifluoromethyl)phenyl]ethyl]amino]pyridazin-3-yl]-2-pyridinyl]methanol
CID 161384079
[6-[6-[[(1S)-1-(2-fluoro-4-methylphenyl)ethyl]amino]-5-methylpyridazin-3-yl]-3-(4-methylimidazol-1-yl)-2-pyridinyl]methanol;[6-[6-[[(1S)-1-(3-methoxy-4-methylphenyl)ethyl]amino]-5-methylpyridazin-3-yl]-3-(4-methylimidazol-1-yl)-2-pyridinyl]methanol;bis([3-(4-methylimidazol-1-yl)-6-[5-methyl-6-[[(1S)-1-(3-methylphenyl)ethyl]amino]pyridazin-3-yl]-2-pyridinyl]methanol);[3-(4-methylimidazol-1-yl)-6-[5-methyl-6-[[(1S)-1-[3-methyl-5-(trifluoromethyl)phenyl]ethyl]amino]pyridazin-3-yl]-2-pyridinyl]methanol
CID 161553096
1-[2-(dimethylamino)ethyl]-1-[(3-methoxyphenyl)methyl]-3-(5-pyridin-4-yl-1H-pyrazol-3-yl)urea;ethane;N-[1-(3-fluorophenyl)-3-hydroxypropyl]formamide;N-methyl-5-pyridin-4-yl-1H-pyrazol-3-amine
CID 145191677
1-[2-(dimethylamino)ethyl]-1-[(3-methoxyphenyl)methyl]-3-(5-pyridin-4-yl-1H-pyrazol-3-yl)urea;1-[1-(3-fluorophenyl)-3-hydroxypropyl]-3-(5-pyridin-4-yl-1H-pyrazol-3-yl)urea;1-(2-hydroxyethyl)-1-[(3-methoxyphenyl)methyl]-3-(5-pyridin-4-yl-1H-pyrazol-3-yl)urea;1-[1-(3-hydroxyphenyl)ethyl]-3-(5-pyridin-4-yl-1H-pyrazol-3-yl)urea;1-[(3-methoxyphenyl)methyl]-1-methyl-3-(5-pyridin-4-yl-1H-pyrazol-3-yl)urea;3-[(3-methoxyphenyl)methyl]-1-methyl-1-(5-pyridin-4-yl-1H-pyrazol-3-yl)urea
CID 157314456
N-[2-(dimethylamino)-1-phenylethyl]-3-pyridin-4-yl-1H-pyrazole-5-carboxamide;1-[(3-fluorophenyl)methyl]-3-(1-pyridin-4-ylpyrazol-4-yl)urea;1-(2-hydroxyethyl)-1-[(3-methoxyphenyl)methyl]-3-(1-pyridin-4-ylpyrazol-4-yl)urea;1-[2-hydroxy-1-(3-methoxyphenyl)ethyl]-3-(1-pyridin-4-ylpyrazol-4-yl)urea;1-[1-(3-methoxyphenyl)ethyl]-3-(1-pyridin-4-ylpyrazol-4-yl)urea;1-[(3-methoxyphenyl)methyl]-3-(1-pyridin-4-ylpyrazol-3-yl)urea
CID 158158723
[6-[6-[[(1S)-1-(2,3-difluorophenyl)ethyl]amino]-5-methylpyridazin-3-yl]-3-(4-methylimidazol-1-yl)-2-pyridinyl]methanol;[6-[6-[[(1S)-1-(2-fluorophenyl)propyl]amino]-5-methylpyridazin-3-yl]-3-(4-methylimidazol-1-yl)-2-pyridinyl]methanol;(3S)-3-[[6-[6-(hydroxymethyl)-5-(4-methylimidazol-1-yl)-2-pyridinyl]-4-methylpyridazin-3-yl]amino]-3-(4-methylphenyl)propan-1-ol;[6-[6-[[(1S)-1-(2-methoxy-4-methylphenyl)ethyl]amino]-5-methylpyridazin-3-yl]-3-(4-methylimidazol-1-yl)-2-pyridinyl]methanol
CID 158441393
1-[1-(3-fluorophenyl)ethyl]-3-(5-pyridin-4-yl-1H-pyrazol-3-yl)urea;1-[1-(3-fluorophenyl)-2-hydroxyethyl]-3-(5-pyridin-4-yl-1H-pyrazol-3-yl)urea;1-[1-(3-fluorophenyl)-3-hydroxypropyl]-3-(5-pyridin-4-yl-1H-pyrazol-3-yl)urea;1-[(3-fluorophenyl)methyl]-3-(5-pyridin-4-yl-1H-pyrazol-3-yl)urea;1-(2-hydroxyethyl)-1-[(3-methoxyphenyl)methyl]-3-(5-pyridin-4-yl-1H-pyrazol-3-yl)urea;1-[(3-hydroxyphenyl)methyl]-3-(5-pyridin-4-yl-1H-pyrazol-3-yl)urea;1-[(3-methoxyphenyl)methyl]-1-methyl-3-(5-pyridin-4-yl-1H-pyrazol-3-yl)urea;1-[(3-methoxyphenyl)methyl]-3-(5-pyridin-4-yl-1H-pyrazol-3-yl)urea
CID 158694372
1-amino-3-[3-[4-[methyl(oxan-4-yl)amino]-1-propan-2-ylpyrazolo[5,4-b]pyridin-6-yl]phenoxy]propan-2-ol;1-amino-3-[3-[1-propan-2-yl-4-(pyridin-3-ylmethylamino)pyrazolo[5,4-b]pyridin-6-yl]phenoxy]propan-2-ol;1-amino-3-[3-[1-propan-2-yl-4-(pyridin-4-ylmethylamino)pyrazolo[5,4-b]pyridin-6-yl]phenoxy]propan-2-ol;1-(methylamino)-3-[3-[4-(oxan-4-ylamino)-1-propan-2-ylpyrazolo[5,4-b]pyridin-6-yl]phenoxy]propan-2-ol;1-(methylamino)-3-[3-[1-propan-2-yl-4-(2H-tetrazol-5-ylmethylamino)pyrazolo[5,4-b]pyridin-6-yl]phenoxy]propan-2-ol
CID 158827015

Frequently Asked Questions

What is the IUPAC name of 1-[2-(dimethylamino)ethyl]-1-[(3-methoxyphenyl)methyl]-3-(5-pyridin-4-yl-1H-pyrazol-3-yl)urea;1-[(3-fluorophenyl)methyl]-3-(1-pyridin-4-ylpyrazol-4-yl)urea;1-(2-hydroxyethyl)-1-[(3-methoxyphenyl)methyl]-3-(1-pyridin-4-ylpyrazol-4-yl)urea;1-[2-hydroxy-1-(3-methoxyphenyl)ethyl]-3-(1-pyridin-4-ylpyrazol-4-yl)urea;1-[1-(3-methoxyphenyl)ethyl]-3-(1-pyridin-4-ylpyrazol-4-yl)urea;3-[(3-methoxyphenyl)methyl]-1-methyl-1-(5-pyridin-4-yl-1H-pyrazol-3-yl)urea;1-[(3-methoxyphenyl)methyl]-3-(1-pyridin-4-ylpyrazol-4-yl)urea?
The IUPAC name of 1-[2-(dimethylamino)ethyl]-1-[(3-methoxyphenyl)methyl]-3-(5-pyridin-4-yl-1H-pyrazol-3-yl)urea;1-[(3-fluorophenyl)methyl]-3-(1-pyridin-4-ylpyrazol-4-yl)urea;1-(2-hydroxyethyl)-1-[(3-methoxyphenyl)methyl]-3-(1-pyridin-4-ylpyrazol-4-yl)urea;1-[2-hydroxy-1-(3-methoxyphenyl)ethyl]-3-(1-pyridin-4-ylpyrazol-4-yl)urea;1-[1-(3-methoxyphenyl)ethyl]-3-(1-pyridin-4-ylpyrazol-4-yl)urea;3-[(3-methoxyphenyl)methyl]-1-methyl-1-(5-pyridin-4-yl-1H-pyrazol-3-yl)urea;1-[(3-methoxyphenyl)methyl]-3-(1-pyridin-4-ylpyrazol-4-yl)urea (CID 158410754) is 1-[2-(dimethylamino)ethyl]-1-[(3-methoxyphenyl)methyl]-3-(5-pyridin-4-yl-1H-pyrazol-3-yl)urea;1-[(3-fluorophenyl)methyl]-3-(1-pyridin-4-ylpyrazol-4-yl)urea;1-(2-hydroxyethyl)-1-[(3-methoxyphenyl)methyl]-3-(1-pyridin-4-ylpyrazol-4-yl)urea;1-[2-hydroxy-1-(3-methoxyphenyl)ethyl]-3-(1-pyridin-4-ylpyrazol-4-yl)urea;1-[1-(3-methoxyphenyl)ethyl]-3-(1-pyridin-4-ylpyrazol-4-yl)urea;3-[(3-methoxyphenyl)methyl]-1-methyl-1-(5-pyridin-4-yl-1H-pyrazol-3-yl)urea;1-[(3-methoxyphenyl)methyl]-3-(1-pyridin-4-ylpyrazol-4-yl)urea.
What is the SMILES notation for 1-[2-(dimethylamino)ethyl]-1-[(3-methoxyphenyl)methyl]-3-(5-pyridin-4-yl-1H-pyrazol-3-yl)urea;1-[(3-fluorophenyl)methyl]-3-(1-pyridin-4-ylpyrazol-4-yl)urea;1-(2-hydroxyethyl)-1-[(3-methoxyphenyl)methyl]-3-(1-pyridin-4-ylpyrazol-4-yl)urea;1-[2-hydroxy-1-(3-methoxyphenyl)ethyl]-3-(1-pyridin-4-ylpyrazol-4-yl)urea;1-[1-(3-methoxyphenyl)ethyl]-3-(1-pyridin-4-ylpyrazol-4-yl)urea;3-[(3-methoxyphenyl)methyl]-1-methyl-1-(5-pyridin-4-yl-1H-pyrazol-3-yl)urea;1-[(3-methoxyphenyl)methyl]-3-(1-pyridin-4-ylpyrazol-4-yl)urea?
The canonical SMILES for 1-[2-(dimethylamino)ethyl]-1-[(3-methoxyphenyl)methyl]-3-(5-pyridin-4-yl-1H-pyrazol-3-yl)urea;1-[(3-fluorophenyl)methyl]-3-(1-pyridin-4-ylpyrazol-4-yl)urea;1-(2-hydroxyethyl)-1-[(3-methoxyphenyl)methyl]-3-(1-pyridin-4-ylpyrazol-4-yl)urea;1-[2-hydroxy-1-(3-methoxyphenyl)ethyl]-3-(1-pyridin-4-ylpyrazol-4-yl)urea;1-[1-(3-methoxyphenyl)ethyl]-3-(1-pyridin-4-ylpyrazol-4-yl)urea;3-[(3-methoxyphenyl)methyl]-1-methyl-1-(5-pyridin-4-yl-1H-pyrazol-3-yl)urea;1-[(3-methoxyphenyl)methyl]-3-(1-pyridin-4-ylpyrazol-4-yl)urea is COc1cccc(C(C)NC(=O)Nc2cnn(-c3ccncc3)c2)c1.COc1cccc(C(CO)NC(=O)Nc2cnn(-c3ccncc3)c2)c1.COc1cccc(CN(CCN(C)C)C(=O)Nc2cc(-c3ccncc3)[nH]n2)c1.COc1cccc(CN(CCO)C(=O)Nc2cnn(-c3ccncc3)c2)c1.COc1cccc(CNC(=O)N(C)c2cc(-c3ccncc3)[nH]n2)c1.COc1cccc(CNC(=O)Nc2cnn(-c3ccncc3)c2)c1.O=C(NCc1cccc(F)c1)Nc1cnn(-c2ccncc2)c1.
What is the InChIKey of 1-[2-(dimethylamino)ethyl]-1-[(3-methoxyphenyl)methyl]-3-(5-pyridin-4-yl-1H-pyrazol-3-yl)urea;1-[(3-fluorophenyl)methyl]-3-(1-pyridin-4-ylpyrazol-4-yl)urea;1-(2-hydroxyethyl)-1-[(3-methoxyphenyl)methyl]-3-(1-pyridin-4-ylpyrazol-4-yl)urea;1-[2-hydroxy-1-(3-methoxyphenyl)ethyl]-3-(1-pyridin-4-ylpyrazol-4-yl)urea;1-[1-(3-methoxyphenyl)ethyl]-3-(1-pyridin-4-ylpyrazol-4-yl)urea;3-[(3-methoxyphenyl)methyl]-1-methyl-1-(5-pyridin-4-yl-1H-pyrazol-3-yl)urea;1-[(3-methoxyphenyl)methyl]-3-(1-pyridin-4-ylpyrazol-4-yl)urea?
The InChIKey is GZGXNEJPMZALLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N6O2.C19H21N5O3.C18H19N5O3.2C18H19N5O2.C17H17N5O2.C16H14FN5O/c1-26(2)11-12-27(15-16-5-4-6-18(13-16)29-3)21(28)23-20-14-19(24-25-20)17-7-9-22-10-8-17;1-27-18-4-2-3-15(11-18)13-23(9-10-25)19(26)22-16-12-21-24(14-16)17-5-7-20-8-6-17;1-26-16-4-2-3-13(9-16)17(12-24)22-18(25)21-14-10-20-23(11-14)15-5-7-19-8-6-15;1-23(17-11-16(21-22-17)14-6-8-19-9-7-14)18(24)20-12-13-4-3-5-15(10-13)25-2;1-13(14-4-3-5-17(10-14)25-2)21-18(24)22-15-11-20-23(12-15)16-6-8-19-9-7-16;1-24-16-4-2-3-13(9-16)10-19-17(23)21-14-11-20-22(12-14)15-5-7-18-8-6-15;17-13-3-1-2-12(8-13)9-19-16(23)21-14-10-20-22(11-14)15-4-6-18-7-5-15/h4-10,13-14H,11-12,15H2,1-3H3,(H2,23,24,25,28);2-8,11-12,14,25H,9-10,13H2,1H3,(H,22,26);2-11,17,24H,12H2,1H3,(H2,21,22,25);3-11H,12H2,1-2H3,(H,20,24)(H,21,22);3-13H,1-2H3,(H2,21,22,24);2-9,11-12H,10H2,1H3,(H2,19,21,23);1-8,10-11H,9H2,(H2,19,21,23).
What are the key properties of 1-[2-(dimethylamino)ethyl]-1-[(3-methoxyphenyl)methyl]-3-(5-pyridin-4-yl-1H-pyrazol-3-yl)urea;1-[(3-fluorophenyl)methyl]-3-(1-pyridin-4-ylpyrazol-4-yl)urea;1-(2-hydroxyethyl)-1-[(3-methoxyphenyl)methyl]-3-(1-pyridin-4-ylpyrazol-4-yl)urea;1-[2-hydroxy-1-(3-methoxyphenyl)ethyl]-3-(1-pyridin-4-ylpyrazol-4-yl)urea;1-[1-(3-methoxyphenyl)ethyl]-3-(1-pyridin-4-ylpyrazol-4-yl)urea;3-[(3-methoxyphenyl)methyl]-1-methyl-1-(5-pyridin-4-yl-1H-pyrazol-3-yl)urea;1-[(3-methoxyphenyl)methyl]-3-(1-pyridin-4-ylpyrazol-4-yl)urea?
1-[2-(dimethylamino)ethyl]-1-[(3-methoxyphenyl)methyl]-3-(5-pyridin-4-yl-1H-pyrazol-3-yl)urea;1-[(3-fluorophenyl)methyl]-3-(1-pyridin-4-ylpyrazol-4-yl)urea;1-(2-hydroxyethyl)-1-[(3-methoxyphenyl)methyl]-3-(1-pyridin-4-ylpyrazol-4-yl)urea;1-[2-hydroxy-1-(3-methoxyphenyl)ethyl]-3-(1-pyridin-4-ylpyrazol-4-yl)urea;1-[1-(3-methoxyphenyl)ethyl]-3-(1-pyridin-4-ylpyrazol-4-yl)urea;3-[(3-methoxyphenyl)methyl]-1-methyl-1-(5-pyridin-4-yl-1H-pyrazol-3-yl)urea;1-[(3-methoxyphenyl)methyl]-3-(1-pyridin-4-ylpyrazol-4-yl)urea has a molecular weight of 2424.71 g/mol, XLogP of 18.82, 40 rotatable bonds, 15 hydrogen bond donors, and 35 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(dimethylamino)ethyl]-1-[(3-methoxyphenyl)methyl]-3-(5-pyridin-4-yl-1H-pyrazol-3-yl)urea;1-[(3-fluorophenyl)methyl]-3-(1-pyridin-4-ylpyrazol-4-yl)urea;1-(2-hydroxyethyl)-1-[(3-methoxyphenyl)methyl]-3-(1-pyridin-4-ylpyrazol-4-yl)urea;1-[2-hydroxy-1-(3-methoxyphenyl)ethyl]-3-(1-pyridin-4-ylpyrazol-4-yl)urea;1-[1-(3-methoxyphenyl)ethyl]-3-(1-pyridin-4-ylpyrazol-4-yl)urea;3-[(3-methoxyphenyl)methyl]-1-methyl-1-(5-pyridin-4-yl-1H-pyrazol-3-yl)urea;1-[(3-methoxyphenyl)methyl]-3-(1-pyridin-4-ylpyrazol-4-yl)urea is sourced from PubChem (CID 158410754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).