1-[[2-(aminomethyl)-5-(methoxymethyl)phenyl]methyl]-3-[4-methyl-3-(1-methylpyrazol-4-yl)-1-phenylpyrazol-5-yl]urea;1-[[2-cyclobutyl-4-fluoro-5-(methoxymethyl)phenyl]methyl]-3-[4-methyl-3-(1-methylpyrazol-4-yl)-1-phenylpyrazol-5-yl]urea;1-[[5-(methoxymethyl)-2-phenylphenyl]methyl]-3-[4-methyl-3-(1-methylpyrazol-4-yl)-1-phenylpyrazol-5-yl]urea;1-[[5-(methoxymethyl)-2-[(2,2,2-trifluoroethylamino)methyl]phenyl]methyl]-3-[4-methyl-3-(1-methylpyrazol-4-yl)-1-phenylpyrazol-5-yl]urea

C110H120F4N26O8 — CID 160905909

IUPAC1-[[2-(aminomethyl)-5-(methoxymethyl)phenyl]methyl]-3-[4-methyl-3-(1-methylpyrazol-4-yl)-1-phenylpyrazol-5-yl]urea;1-[[2-cyclobutyl-4-fluoro-5-(methoxymethyl)phenyl]methyl]-3-[4-methyl-3-(1-methylpyrazol-4-yl)-1-phenylpyrazol-5-yl]urea;1-[[5-(methoxymethyl)-2-phenylphenyl]methyl]-3-[4-methyl-3-(1-methylpyrazol-4-yl)-1-phenylpyrazol-5-yl]urea;1-[[5-(methoxymethyl)-2-[(2,2,2-trifluoroethylamino)methyl]phenyl]methyl]-3-[4-methyl-3-(1-methylpyrazol-4-yl)-1-phenylpyrazol-5-yl]urea
SMILESCOCc1cc(CNC(=O)Nc2c(C)c(-c3cnn(C)c3)nn2-c2ccccc2)c(C2CCC2)cc1F.COCc1ccc(-c2ccccc2)c(CNC(=O)Nc2c(C)c(-c3cnn(C)c3)nn2-c2ccccc2)c1.COCc1ccc(CN)c(CNC(=O)Nc2c(C)c(-c3cnn(C)c3)nn2-c2ccccc2)c1.COCc1ccc(CNCC(F)(F)F)c(CNC(=O)Nc2c(C)c(-c3cnn(C)c3)nn2-c2ccccc2)c1
InChIInChI=1S/C30H30N6O2.C28H31FN6O2.C27H30F3N7O2.C25H29N7O2/c1-21-28(25-18-32-35(2)19-25)34-36(26-12-8-5-9-13-26)29(21)33-30(37)31-17-24-16-22(20-38-3)14-15-27(24)23-10-6-4-7-11-23;1-18-26(22-15-31-34(2)16-22)33-35(23-10-5-4-6-11-23)27(18)32-28(36)30-14-20-12-21(17-37-3)25(29)13-24(20)19-8-7-9-19;1-18-24(22-14-33-36(2)15-22)35-37(23-7-5-4-6-8-23)25(18)34-26(38)32-13-21-11-19(16-39-3)9-10-20(21)12-31-17-27(28,29)30;1-17-23(21-14-28-31(2)15-21)30-32(22-7-5-4-6-8-22)24(17)29-25(33)27-13-20-11-18(16-34-3)9-10-19(20)12-26/h4-16,18-19H,17,20H2,1-3H3,(H2,31,33,37);4-6,10-13,15-16,19H,7-9,14,17H2,1-3H3,(H2,30,32,36);4-11,14-15,31H,12-13,16-17H2,1-3H3,(H2,32,34,38);4-11,14-15H,12-13,16,26H2,1-3H3,(H2,27,29,33)
InChIKeySQDDYCWADYLRKI-UHFFFAOYSA-N
MW2010.34 g/mol
LogP19.38
Rot. Bonds34

About 1-[[2-(aminomethyl)-5-(methoxymethyl)phenyl]methyl]-3-[4-methyl-3-(1-methylpyrazol-4-yl)-1-phenylpyrazol-5-yl]urea;1-[[2-cyclobutyl-4-fluoro-5-(methoxymethyl)phenyl]methyl]-3-[4-methyl-3-(1-methylpyrazol-4-yl)-1-phenylpyrazol-5-yl]urea;1-[[5-(methoxymethyl)-2-phenylphenyl]methyl]-3-[4-methyl-3-(1-methylpyrazol-4-yl)-1-phenylpyrazol-5-yl]urea;1-[[5-(methoxymethyl)-2-[(2,2,2-trifluoroethylamino)methyl]phenyl]methyl]-3-[4-methyl-3-(1-methylpyrazol-4-yl)-1-phenylpyrazol-5-yl]urea

1-[[2-(aminomethyl)-5-(methoxymethyl)phenyl]methyl]-3-[4-methyl-3-(1-methylpyrazol-4-yl)-1-phenylpyrazol-5-yl]urea;1-[[2-cyclobutyl-4-fluoro-5-(methoxymethyl)phenyl]methyl]-3-[4-methyl-3-(1-methylpyrazol-4-yl)-1-phenylpyrazol-5-yl]urea;1-[[5-(methoxymethyl)-2-phenylphenyl]methyl]-3-[4-methyl-3-(1-methylpyrazol-4-yl)-1-phenylpyrazol-5-yl]urea;1-[[5-(methoxymethyl)-2-[(2,2,2-trifluoroethylamino)methyl]phenyl]methyl]-3-[4-methyl-3-(1-methylpyrazol-4-yl)-1-phenylpyrazol-5-yl]urea (PubChem CID 160905909) has the molecular formula C110H120F4N26O8 and a molecular weight of 2010.34 g/mol. Its IUPAC name is 1-[[2-(aminomethyl)-5-(methoxymethyl)phenyl]methyl]-3-[4-methyl-3-(1-methylpyrazol-4-yl)-1-phenylpyrazol-5-yl]urea;1-[[2-cyclobutyl-4-fluoro-5-(methoxymethyl)phenyl]methyl]-3-[4-methyl-3-(1-methylpyrazol-4-yl)-1-phenylpyrazol-5-yl]urea;1-[[5-(methoxymethyl)-2-phenylphenyl]methyl]-3-[4-methyl-3-(1-methylpyrazol-4-yl)-1-phenylpyrazol-5-yl]urea;1-[[5-(methoxymethyl)-2-[(2,2,2-trifluoroethylamino)methyl]phenyl]methyl]-3-[4-methyl-3-(1-methylpyrazol-4-yl)-1-phenylpyrazol-5-yl]urea.

Molecular Properties

Compound Name1-[[2-(aminomethyl)-5-(methoxymethyl)phenyl]methyl]-3-[4-methyl-3-(1-methylpyrazol-4-yl)-1-phenylpyrazol-5-yl]urea;1-[[2-cyclobutyl-4-fluoro-5-(methoxymethyl)phenyl]methyl]-3-[4-methyl-3-(1-methylpyrazol-4-yl)-1-phenylpyrazol-5-yl]urea;1-[[5-(methoxymethyl)-2-phenylphenyl]methyl]-3-[4-methyl-3-(1-methylpyrazol-4-yl)-1-phenylpyrazol-5-yl]urea;1-[[5-(methoxymethyl)-2-[(2,2,2-trifluoroethylamino)methyl]phenyl]methyl]-3-[4-methyl-3-(1-methylpyrazol-4-yl)-1-phenylpyrazol-5-yl]urea
PubChem CID160905909
Molecular FormulaC110H120F4N26O8
Molecular Weight2010.34 g/mol
Exact Mass2008.97
IUPAC Name1-[[2-(aminomethyl)-5-(methoxymethyl)phenyl]methyl]-3-[4-methyl-3-(1-methylpyrazol-4-yl)-1-phenylpyrazol-5-yl]urea;1-[[2-cyclobutyl-4-fluoro-5-(methoxymethyl)phenyl]methyl]-3-[4-methyl-3-(1-methylpyrazol-4-yl)-1-phenylpyrazol-5-yl]urea;1-[[5-(methoxymethyl)-2-phenylphenyl]methyl]-3-[4-methyl-3-(1-methylpyrazol-4-yl)-1-phenylpyrazol-5-yl]urea;1-[[5-(methoxymethyl)-2-[(2,2,2-trifluoroethylamino)methyl]phenyl]methyl]-3-[4-methyl-3-(1-methylpyrazol-4-yl)-1-phenylpyrazol-5-yl]urea
SMILESCOCc1cc(CNC(=O)Nc2c(C)c(-c3cnn(C)c3)nn2-c2ccccc2)c(C2CCC2)cc1F.COCc1ccc(-c2ccccc2)c(CNC(=O)Nc2c(C)c(-c3cnn(C)c3)nn2-c2ccccc2)c1.COCc1ccc(CN)c(CNC(=O)Nc2c(C)c(-c3cnn(C)c3)nn2-c2ccccc2)c1.COCc1ccc(CNCC(F)(F)F)c(CNC(=O)Nc2c(C)c(-c3cnn(C)c3)nn2-c2ccccc2)c1
InChIInChI=1S/C30H30N6O2.C28H31FN6O2.C27H30F3N7O2.C25H29N7O2/c1-21-28(25-18-32-35(2)19-25)34-36(26-12-8-5-9-13-26)29(21)33-30(37)31-17-24-16-22(20-38-3)14-15-27(24)23-10-6-4-7-11-23;1-18-26(22-15-31-34(2)16-22)33-35(23-10-5-4-6-11-23)27(18)32-28(36)30-14-20-12-21(17-37-3)25(29)13-24(20)19-8-7-9-19;1-18-24(22-14-33-36(2)15-22)35-37(23-7-5-4-6-8-23)25(18)34-26(38)32-13-21-11-19(16-39-3)9-10-20(21)12-31-17-27(28,29)30;1-17-23(21-14-28-31(2)15-21)30-32(22-7-5-4-6-8-22)24(17)29-25(33)27-13-20-11-18(16-34-3)9-10-19(20)12-26/h4-16,18-19H,17,20H2,1-3H3,(H2,31,33,37);4-6,10-13,15-16,19H,7-9,14,17H2,1-3H3,(H2,30,32,36);4-11,14-15,31H,12-13,16-17H2,1-3H3,(H2,32,34,38);4-11,14-15H,12-13,16,26H2,1-3H3,(H2,27,29,33)
InChIKeySQDDYCWADYLRKI-UHFFFAOYSA-N
XLogP19.38
TPSA382.05 Ų
H-Bond Donors10
H-Bond Acceptors26
Rotatable Bonds34
Heavy Atoms148
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002010.34
LogP ≤ 519.38
H-Bond Donors ≤ 510
H-Bond Acceptors ≤ 1026

Analyze 1-[[2-(aminomethyl)-5-(methoxymethyl)phenyl]methyl]-3-[4-methyl-3-(1-methylpyrazol-4-yl)-1-phenylpyrazol-5-yl]urea;1-[[2-cyclobutyl-4-fluoro-5-(methoxymethyl)phenyl]methyl]-3-[4-methyl-3-(1-methylpyrazol-4-yl)-1-phenylpyrazol-5-yl]urea;1-[[5-(methoxymethyl)-2-phenylphenyl]methyl]-3-[4-methyl-3-(1-methylpyrazol-4-yl)-1-phenylpyrazol-5-yl]urea;1-[[5-(methoxymethyl)-2-[(2,2,2-trifluoroethylamino)methyl]phenyl]methyl]-3-[4-methyl-3-(1-methylpyrazol-4-yl)-1-phenylpyrazol-5-yl]urea with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-[[2-(aminomethyl)-5-(methoxymethyl)phenyl]methyl]-3-[4-methyl-3-(1-methylpyrazol-4-yl)-1-phenylpyrazol-5-yl]urea;1-[[2-cyclobutyl-4-fluoro-5-(methoxymethyl)phenyl]methyl]-3-[4-methyl-3-(1-methylpyrazol-4-yl)-1-phenylpyrazol-5-yl]urea;1-[[5-(methoxymethyl)-2-phenylphenyl]methyl]-3-[4-methyl-3-(1-methylpyrazol-4-yl)-1-phenylpyrazol-5-yl]urea;1-[[5-(methoxymethyl)-2-[(2,2,2-trifluoroethylamino)methyl]phenyl]methyl]-3-[4-methyl-3-(1-methylpyrazol-4-yl)-1-phenylpyrazol-5-yl]urea?
The IUPAC name of 1-[[2-(aminomethyl)-5-(methoxymethyl)phenyl]methyl]-3-[4-methyl-3-(1-methylpyrazol-4-yl)-1-phenylpyrazol-5-yl]urea;1-[[2-cyclobutyl-4-fluoro-5-(methoxymethyl)phenyl]methyl]-3-[4-methyl-3-(1-methylpyrazol-4-yl)-1-phenylpyrazol-5-yl]urea;1-[[5-(methoxymethyl)-2-phenylphenyl]methyl]-3-[4-methyl-3-(1-methylpyrazol-4-yl)-1-phenylpyrazol-5-yl]urea;1-[[5-(methoxymethyl)-2-[(2,2,2-trifluoroethylamino)methyl]phenyl]methyl]-3-[4-methyl-3-(1-methylpyrazol-4-yl)-1-phenylpyrazol-5-yl]urea (CID 160905909) is 1-[[2-(aminomethyl)-5-(methoxymethyl)phenyl]methyl]-3-[4-methyl-3-(1-methylpyrazol-4-yl)-1-phenylpyrazol-5-yl]urea;1-[[2-cyclobutyl-4-fluoro-5-(methoxymethyl)phenyl]methyl]-3-[4-methyl-3-(1-methylpyrazol-4-yl)-1-phenylpyrazol-5-yl]urea;1-[[5-(methoxymethyl)-2-phenylphenyl]methyl]-3-[4-methyl-3-(1-methylpyrazol-4-yl)-1-phenylpyrazol-5-yl]urea;1-[[5-(methoxymethyl)-2-[(2,2,2-trifluoroethylamino)methyl]phenyl]methyl]-3-[4-methyl-3-(1-methylpyrazol-4-yl)-1-phenylpyrazol-5-yl]urea.
What is the SMILES notation for 1-[[2-(aminomethyl)-5-(methoxymethyl)phenyl]methyl]-3-[4-methyl-3-(1-methylpyrazol-4-yl)-1-phenylpyrazol-5-yl]urea;1-[[2-cyclobutyl-4-fluoro-5-(methoxymethyl)phenyl]methyl]-3-[4-methyl-3-(1-methylpyrazol-4-yl)-1-phenylpyrazol-5-yl]urea;1-[[5-(methoxymethyl)-2-phenylphenyl]methyl]-3-[4-methyl-3-(1-methylpyrazol-4-yl)-1-phenylpyrazol-5-yl]urea;1-[[5-(methoxymethyl)-2-[(2,2,2-trifluoroethylamino)methyl]phenyl]methyl]-3-[4-methyl-3-(1-methylpyrazol-4-yl)-1-phenylpyrazol-5-yl]urea?
The canonical SMILES for 1-[[2-(aminomethyl)-5-(methoxymethyl)phenyl]methyl]-3-[4-methyl-3-(1-methylpyrazol-4-yl)-1-phenylpyrazol-5-yl]urea;1-[[2-cyclobutyl-4-fluoro-5-(methoxymethyl)phenyl]methyl]-3-[4-methyl-3-(1-methylpyrazol-4-yl)-1-phenylpyrazol-5-yl]urea;1-[[5-(methoxymethyl)-2-phenylphenyl]methyl]-3-[4-methyl-3-(1-methylpyrazol-4-yl)-1-phenylpyrazol-5-yl]urea;1-[[5-(methoxymethyl)-2-[(2,2,2-trifluoroethylamino)methyl]phenyl]methyl]-3-[4-methyl-3-(1-methylpyrazol-4-yl)-1-phenylpyrazol-5-yl]urea is COCc1cc(CNC(=O)Nc2c(C)c(-c3cnn(C)c3)nn2-c2ccccc2)c(C2CCC2)cc1F.COCc1ccc(-c2ccccc2)c(CNC(=O)Nc2c(C)c(-c3cnn(C)c3)nn2-c2ccccc2)c1.COCc1ccc(CN)c(CNC(=O)Nc2c(C)c(-c3cnn(C)c3)nn2-c2ccccc2)c1.COCc1ccc(CNCC(F)(F)F)c(CNC(=O)Nc2c(C)c(-c3cnn(C)c3)nn2-c2ccccc2)c1.
What is the InChIKey of 1-[[2-(aminomethyl)-5-(methoxymethyl)phenyl]methyl]-3-[4-methyl-3-(1-methylpyrazol-4-yl)-1-phenylpyrazol-5-yl]urea;1-[[2-cyclobutyl-4-fluoro-5-(methoxymethyl)phenyl]methyl]-3-[4-methyl-3-(1-methylpyrazol-4-yl)-1-phenylpyrazol-5-yl]urea;1-[[5-(methoxymethyl)-2-phenylphenyl]methyl]-3-[4-methyl-3-(1-methylpyrazol-4-yl)-1-phenylpyrazol-5-yl]urea;1-[[5-(methoxymethyl)-2-[(2,2,2-trifluoroethylamino)methyl]phenyl]methyl]-3-[4-methyl-3-(1-methylpyrazol-4-yl)-1-phenylpyrazol-5-yl]urea?
The InChIKey is SQDDYCWADYLRKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H30N6O2.C28H31FN6O2.C27H30F3N7O2.C25H29N7O2/c1-21-28(25-18-32-35(2)19-25)34-36(26-12-8-5-9-13-26)29(21)33-30(37)31-17-24-16-22(20-38-3)14-15-27(24)23-10-6-4-7-11-23;1-18-26(22-15-31-34(2)16-22)33-35(23-10-5-4-6-11-23)27(18)32-28(36)30-14-20-12-21(17-37-3)25(29)13-24(20)19-8-7-9-19;1-18-24(22-14-33-36(2)15-22)35-37(23-7-5-4-6-8-23)25(18)34-26(38)32-13-21-11-19(16-39-3)9-10-20(21)12-31-17-27(28,29)30;1-17-23(21-14-28-31(2)15-21)30-32(22-7-5-4-6-8-22)24(17)29-25(33)27-13-20-11-18(16-34-3)9-10-19(20)12-26/h4-16,18-19H,17,20H2,1-3H3,(H2,31,33,37);4-6,10-13,15-16,19H,7-9,14,17H2,1-3H3,(H2,30,32,36);4-11,14-15,31H,12-13,16-17H2,1-3H3,(H2,32,34,38);4-11,14-15H,12-13,16,26H2,1-3H3,(H2,27,29,33).
What are the key properties of 1-[[2-(aminomethyl)-5-(methoxymethyl)phenyl]methyl]-3-[4-methyl-3-(1-methylpyrazol-4-yl)-1-phenylpyrazol-5-yl]urea;1-[[2-cyclobutyl-4-fluoro-5-(methoxymethyl)phenyl]methyl]-3-[4-methyl-3-(1-methylpyrazol-4-yl)-1-phenylpyrazol-5-yl]urea;1-[[5-(methoxymethyl)-2-phenylphenyl]methyl]-3-[4-methyl-3-(1-methylpyrazol-4-yl)-1-phenylpyrazol-5-yl]urea;1-[[5-(methoxymethyl)-2-[(2,2,2-trifluoroethylamino)methyl]phenyl]methyl]-3-[4-methyl-3-(1-methylpyrazol-4-yl)-1-phenylpyrazol-5-yl]urea?
1-[[2-(aminomethyl)-5-(methoxymethyl)phenyl]methyl]-3-[4-methyl-3-(1-methylpyrazol-4-yl)-1-phenylpyrazol-5-yl]urea;1-[[2-cyclobutyl-4-fluoro-5-(methoxymethyl)phenyl]methyl]-3-[4-methyl-3-(1-methylpyrazol-4-yl)-1-phenylpyrazol-5-yl]urea;1-[[5-(methoxymethyl)-2-phenylphenyl]methyl]-3-[4-methyl-3-(1-methylpyrazol-4-yl)-1-phenylpyrazol-5-yl]urea;1-[[5-(methoxymethyl)-2-[(2,2,2-trifluoroethylamino)methyl]phenyl]methyl]-3-[4-methyl-3-(1-methylpyrazol-4-yl)-1-phenylpyrazol-5-yl]urea has a molecular weight of 2010.34 g/mol, XLogP of 19.38, 34 rotatable bonds, 10 hydrogen bond donors, and 26 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[2-(aminomethyl)-5-(methoxymethyl)phenyl]methyl]-3-[4-methyl-3-(1-methylpyrazol-4-yl)-1-phenylpyrazol-5-yl]urea;1-[[2-cyclobutyl-4-fluoro-5-(methoxymethyl)phenyl]methyl]-3-[4-methyl-3-(1-methylpyrazol-4-yl)-1-phenylpyrazol-5-yl]urea;1-[[5-(methoxymethyl)-2-phenylphenyl]methyl]-3-[4-methyl-3-(1-methylpyrazol-4-yl)-1-phenylpyrazol-5-yl]urea;1-[[5-(methoxymethyl)-2-[(2,2,2-trifluoroethylamino)methyl]phenyl]methyl]-3-[4-methyl-3-(1-methylpyrazol-4-yl)-1-phenylpyrazol-5-yl]urea is sourced from PubChem (CID 160905909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).