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;1-[(3-methoxyphenyl)methyl]-3-(1-pyridin-4-ylpyrazol-4-yl)urea

C105H107FN30O13 — CID 159037303

IUPAC1-[(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;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(CCO)C(=O)Nc2cnn(-c3ccncc3)c2)c1.COc1cccc(CNC(=O)Nc2ccn(-c3ccncc3)n2)c1.COc1cccc(CNC(=O)Nc2cnn(-c3ccncc3)c2)c1.O=C(NCc1cccc(F)c1)Nc1cnn(-c2ccncc2)c1
InChIInChI=1S/C19H21N5O3.C18H19N5O3.C18H19N5O2.2C17H17N5O2.C16H14FN5O/c1-27-18-4-2-3-15(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;1-13(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;1-24-15-4-2-3-13(11-15)12-19-17(23)20-16-7-10-22(21-16)14-5-8-18-9-6-14;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/h2-8,11-12,14,25H,9-10,13H2,1H3,(H,22,26);2-11,17,24H,12H2,1H3,(H2,21,22,25);3-13H,1-2H3,(H2,21,22,24);2-11H,12H2,1H3,(H2,19,20,21,23);2-9,11-12H,10H2,1H3,(H2,19,21,23);1-8,10-11H,9H2,(H2,19,21,23)
InChIKeyJVPOGCHFUXBFMV-UHFFFAOYSA-N
MW2016.21 g/mol
LogP15.52
Rot. Bonds32

About 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;1-[(3-methoxyphenyl)methyl]-3-(1-pyridin-4-ylpyrazol-4-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;1-[(3-methoxyphenyl)methyl]-3-(1-pyridin-4-ylpyrazol-3-yl)urea;1-[(3-methoxyphenyl)methyl]-3-(1-pyridin-4-ylpyrazol-4-yl)urea (PubChem CID 159037303) has the molecular formula C105H107FN30O13 and a molecular weight of 2016.21 g/mol. Its IUPAC name is 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;1-[(3-methoxyphenyl)methyl]-3-(1-pyridin-4-ylpyrazol-4-yl)urea.

Molecular Properties

Compound Name1-[(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;1-[(3-methoxyphenyl)methyl]-3-(1-pyridin-4-ylpyrazol-4-yl)urea
PubChem CID159037303
Molecular FormulaC105H107FN30O13
Molecular Weight2016.21 g/mol
Exact Mass2014.86
IUPAC Name1-[(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;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(CCO)C(=O)Nc2cnn(-c3ccncc3)c2)c1.COc1cccc(CNC(=O)Nc2ccn(-c3ccncc3)n2)c1.COc1cccc(CNC(=O)Nc2cnn(-c3ccncc3)c2)c1.O=C(NCc1cccc(F)c1)Nc1cnn(-c2ccncc2)c1
InChIInChI=1S/C19H21N5O3.C18H19N5O3.C18H19N5O2.2C17H17N5O2.C16H14FN5O/c1-27-18-4-2-3-15(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;1-13(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;1-24-15-4-2-3-13(11-15)12-19-17(23)20-16-7-10-22(21-16)14-5-8-18-9-6-14;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/h2-8,11-12,14,25H,9-10,13H2,1H3,(H,22,26);2-11,17,24H,12H2,1H3,(H2,21,22,25);3-13H,1-2H3,(H2,21,22,24);2-11H,12H2,1H3,(H2,19,20,21,23);2-9,11-12H,10H2,1H3,(H2,19,21,23);1-8,10-11H,9H2,(H2,19,21,23)
InChIKeyJVPOGCHFUXBFMV-UHFFFAOYSA-N
XLogP15.52
TPSA508.86 Ų
H-Bond Donors13
H-Bond Acceptors31
Rotatable Bonds32
Heavy Atoms149
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002016.21
LogP ≤ 515.52
H-Bond Donors ≤ 513
H-Bond Acceptors ≤ 1031

Analyze 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;1-[(3-methoxyphenyl)methyl]-3-(1-pyridin-4-ylpyrazol-4-yl)urea with MolForge

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Related Compounds

2-[4-(Hydroxymethyl)phenoxy]-1-[3-[methyl-[4-(trifluoromethyl)pyridazin-3-yl]amino]pyrrolidin-1-yl]ethanone;2-[4-(hydroxymethyl)phenoxy]-1-[3-[methyl-[3-(trifluoromethyl)-2-pyridinyl]amino]pyrrolidin-1-yl]ethanone;2-[4-(hydroxymethyl)phenoxy]-1-[3-[methyl-[4-(trifluoromethyl)-3-pyridinyl]amino]pyrrolidin-1-yl]ethanone;2-[4-(hydroxymethyl)phenoxy]-1-[3-[[4-(trifluoromethyl)pyridazin-3-yl]methyl]pyrrolidin-1-yl]ethanone;2-[4-(hydroxymethyl)phenoxy]-1-[3-[[3-(trifluoromethyl)-2-pyridinyl]methyl]pyrrolidin-1-yl]ethanone;2-[4-(hydroxymethyl)phenoxy]-1-[3-[[4-(trifluoromethyl)-3-pyridinyl]methyl]pyrrolidin-1-yl]ethanone
CID 157281704
N-[(2,4-difluorophenyl)methyl]-N-methyl-1-[4-(2-methylpyrazol-3-yl)phthalazin-1-yl]piperidin-4-amine;N-[(2,4-difluorophenyl)methyl]-1-[4-(2-methylpyrazol-3-yl)phthalazin-1-yl]piperidin-4-amine;N-[(2,6-difluoro-3-pyridinyl)methyl]-1-[4-(2-methylpyrazol-3-yl)phthalazin-1-yl]piperidin-4-amine;N-[(4-fluoro-2-methylphenyl)methyl]-1-[4-(2-methylpyrazol-3-yl)phthalazin-1-yl]piperidin-4-amine;N-[(4-fluoro-2-methylphenyl)methyl]-N-[1-[4-(2-methylpyrazol-3-yl)phthalazin-1-yl]piperidin-4-yl]acetamide;N-[(3-fluorophenyl)methyl]-1-[4-(2-methylpyrazol-3-yl)phthalazin-1-yl]piperidin-4-amine;N-[[4-fluoro-2-(trifluoromethyl)phenyl]methyl]-N-methyl-1-[4-(2-methylpyrazol-3-yl)phthalazin-1-yl]piperidin-3-amine;hydron;N-[(3-methoxyphenyl)methyl]-1-[4-(2-methylpyrazol-3-yl)phthalazin-1-yl]piperidin-4-amine;chloride
CID 158498507
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;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
(3S,4S,5S)-4-amino-5-methyl-1-[6-(6-propan-2-yloxy-3H-isoindol-1-yl)pyrimidin-4-yl]pyrrolidin-3-ol;6-fluoro-3-[6-[4-(1-methylpyrazol-4-yl)piperazin-1-yl]pyrimidin-4-yl]-5-propan-2-yloxy-1H-isoindole;(2S,3S,4S)-1-[6-(5-fluoro-6-propan-2-yloxy-3H-isoindol-1-yl)pyrimidin-4-yl]-2-methylpyrrolidine-3,4-diol;6-fluoro-5-propan-2-yloxy-3-[6-[(3R,5S)-3,4,5-trimethylpiperazin-1-yl]pyrimidin-4-yl]-1H-isoindole;(4S)-5-[6-(6-propan-2-yloxy-3H-isoindol-1-yl)pyrimidin-4-yl]-2-oxa-5-azabicyclo[2.2.1]heptane;1-[4-[6-(6-propan-2-yloxy-3H-isoindol-1-yl)pyrimidin-4-yl]piperazin-1-yl]propan-1-one
CID 158285266
1-Amino-3-[3-[4-[methyl(oxan-4-ylmethyl)amino]-1-propan-2-ylpyrazolo[5,4-b]pyridin-6-yl]phenoxy]propan-2-ol;1-[3-[4-(heptylamino)-1-propan-2-ylpyrazolo[5,4-b]pyridin-6-yl]phenoxy]-3-(methylamino)propan-2-ol;1-(methylamino)-3-[3-[4-[methyl(oxan-4-yl)amino]-1-propan-2-ylpyrazolo[5,4-b]pyridin-6-yl]phenoxy]propan-2-ol;1-(methylamino)-3-[3-[4-[methyl(pyridin-2-ylmethyl)amino]-1-propan-2-ylpyrazolo[5,4-b]pyridin-6-yl]phenoxy]propan-2-ol;1-(methylamino)-3-[3-[4-(oxan-4-ylmethylamino)-1-propan-2-ylpyrazolo[5,4-b]pyridin-6-yl]phenoxy]propan-2-ol
CID 158288395
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

Frequently Asked Questions

What is the IUPAC name of 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;1-[(3-methoxyphenyl)methyl]-3-(1-pyridin-4-ylpyrazol-4-yl)urea?
The IUPAC name of 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;1-[(3-methoxyphenyl)methyl]-3-(1-pyridin-4-ylpyrazol-4-yl)urea (CID 159037303) is 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;1-[(3-methoxyphenyl)methyl]-3-(1-pyridin-4-ylpyrazol-4-yl)urea.
What is the SMILES notation for 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;1-[(3-methoxyphenyl)methyl]-3-(1-pyridin-4-ylpyrazol-4-yl)urea?
The canonical SMILES for 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;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(CCO)C(=O)Nc2cnn(-c3ccncc3)c2)c1.COc1cccc(CNC(=O)Nc2ccn(-c3ccncc3)n2)c1.COc1cccc(CNC(=O)Nc2cnn(-c3ccncc3)c2)c1.O=C(NCc1cccc(F)c1)Nc1cnn(-c2ccncc2)c1.
What is the InChIKey of 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;1-[(3-methoxyphenyl)methyl]-3-(1-pyridin-4-ylpyrazol-4-yl)urea?
The InChIKey is JVPOGCHFUXBFMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N5O3.C18H19N5O3.C18H19N5O2.2C17H17N5O2.C16H14FN5O/c1-27-18-4-2-3-15(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;1-13(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;1-24-15-4-2-3-13(11-15)12-19-17(23)20-16-7-10-22(21-16)14-5-8-18-9-6-14;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/h2-8,11-12,14,25H,9-10,13H2,1H3,(H,22,26);2-11,17,24H,12H2,1H3,(H2,21,22,25);3-13H,1-2H3,(H2,21,22,24);2-11H,12H2,1H3,(H2,19,20,21,23);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-[(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;1-[(3-methoxyphenyl)methyl]-3-(1-pyridin-4-ylpyrazol-4-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;1-[(3-methoxyphenyl)methyl]-3-(1-pyridin-4-ylpyrazol-3-yl)urea;1-[(3-methoxyphenyl)methyl]-3-(1-pyridin-4-ylpyrazol-4-yl)urea has a molecular weight of 2016.21 g/mol, XLogP of 15.52, 32 rotatable bonds, 13 hydrogen bond donors, and 31 hydrogen bond acceptors.
Where does this data come from?
All data for 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;1-[(3-methoxyphenyl)methyl]-3-(1-pyridin-4-ylpyrazol-4-yl)urea is sourced from PubChem (CID 159037303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).