1-[3-[(2R)-2,3-dihydroxypropoxy]-4-methyl-1-phenylpyrazol-5-yl]-3-(8-methyl-2-phenylimidazo[1,2-a]pyridin-3-yl)urea;1-[3-[(2S)-2-hydroxypropoxy]-4-methyl-1-phenylpyrazol-5-yl]-3-(8-methyl-2-phenylimidazo[1,2-a]pyridin-3-yl)urea;1-(8-methyl-2-phenylimidazo[1,2-a]pyridin-3-yl)-3-(2-phenyl-5,6-dihydro-4H-cyclopenta[c]pyrazol-3-yl)urea;1-(2-phenyl-5,6-dihydro-4H-cyclopenta[c]pyrazol-3-yl)-3-[2-phenyl-8-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]urea

C110H101F3N24O9 — CID 159479727

About 1-[3-[(2R)-2,3-dihydroxypropoxy]-4-methyl-1-phenylpyrazol-5-yl]-3-(8-methyl-2-phenylimidazo[1,2-a]pyridin-3-yl)urea;1-[3-[(2S)-2-hydroxypropoxy]-4-methyl-1-phenylpyrazol-5-yl]-3-(8-methyl-2-phenylimidazo[1,2-a]pyridin-3-yl)urea;1-(8-methyl-2-phenylimidazo[1,2-a]pyridin-3-yl)-3-(2-phenyl-5,6-dihydro-4H-cyclopenta[c]pyrazol-3-yl)urea;1-(2-phenyl-5,6-dihydro-4H-cyclopenta[c]pyrazol-3-yl)-3-[2-phenyl-8-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]urea

1-[3-[(2R)-2,3-dihydroxypropoxy]-4-methyl-1-phenylpyrazol-5-yl]-3-(8-methyl-2-phenylimidazo[1,2-a]pyridin-3-yl)urea;1-[3-[(2S)-2-hydroxypropoxy]-4-methyl-1-phenylpyrazol-5-yl]-3-(8-methyl-2-phenylimidazo[1,2-a]pyridin-3-yl)urea;1-(8-methyl-2-phenylimidazo[1,2-a]pyridin-3-yl)-3-(2-phenyl-5,6-dihydro-4H-cyclopenta[c]pyrazol-3-yl)urea;1-(2-phenyl-5,6-dihydro-4H-cyclopenta[c]pyrazol-3-yl)-3-[2-phenyl-8-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]urea (PubChem CID 159479727) has the molecular formula C110H101F3N24O9 and a molecular weight of 1960.17 g/mol. Its IUPAC name is 1-[3-[(2R)-2,3-dihydroxypropoxy]-4-methyl-1-phenylpyrazol-5-yl]-3-(8-methyl-2-phenylimidazo[1,2-a]pyridin-3-yl)urea;1-[3-[(2S)-2-hydroxypropoxy]-4-methyl-1-phenylpyrazol-5-yl]-3-(8-methyl-2-phenylimidazo[1,2-a]pyridin-3-yl)urea;1-(8-methyl-2-phenylimidazo[1,2-a]pyridin-3-yl)-3-(2-phenyl-5,6-dihydro-4H-cyclopenta[c]pyrazol-3-yl)urea;1-(2-phenyl-5,6-dihydro-4H-cyclopenta[c]pyrazol-3-yl)-3-[2-phenyl-8-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]urea.

Molecular Properties

• Compound Name: 1-[3-[(2R)-2,3-dihydroxypropoxy]-4-methyl-1-phenylpyrazol-5-yl]-3-(8-methyl-2-phenylimidazo[1,2-a]pyridin-3-yl)urea;1-[3-[(2S)-2-hydroxypropoxy]-4-methyl-1-phenylpyrazol-5-yl]-3-(8-methyl-2-phenylimidazo[1,2-a]pyridin-3-yl)urea;1-(8-methyl-2-phenylimidazo[1,2-a]pyridin-3-yl)-3-(2-phenyl-5,6-dihydro-4H-cyclopenta[c]pyrazol-3-yl)urea;1-(2-phenyl-5,6-dihydro-4H-cyclopenta[c]pyrazol-3-yl)-3-[2-phenyl-8-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]urea
• PubChem CID: 159479727
• Molecular Formula: C110H101F3N24O9
• Molecular Weight: 1960.17 g/mol
• Exact Mass: 1958.81
• IUPAC Name: 1-[3-[(2R)-2,3-dihydroxypropoxy]-4-methyl-1-phenylpyrazol-5-yl]-3-(8-methyl-2-phenylimidazo[1,2-a]pyridin-3-yl)urea;1-[3-[(2S)-2-hydroxypropoxy]-4-methyl-1-phenylpyrazol-5-yl]-3-(8-methyl-2-phenylimidazo[1,2-a]pyridin-3-yl)urea;1-(8-methyl-2-phenylimidazo[1,2-a]pyridin-3-yl)-3-(2-phenyl-5,6-dihydro-4H-cyclopenta[c]pyrazol-3-yl)urea;1-(2-phenyl-5,6-dihydro-4H-cyclopenta[c]pyrazol-3-yl)-3-[2-phenyl-8-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]urea
• SMILES: Cc1c(OC[C@H](C)O)nn(-c2ccccc2)c1NC(=O)Nc1c(-c2ccccc2)nc2c(C)cccn12.Cc1c(OC[C@H](O)CO)nn(-c2ccccc2)c1NC(=O)Nc1c(-c2ccccc2)nc2c(C)cccn12.Cc1cccn2c(NC(=O)Nc3c4c(nn3-c3ccccc3)CCC4)c(-c3ccccc3)nc12.O=C(Nc1c2c(nn1-c1ccccc1)CCC2)Nc1c(-c2ccccc2)nc2c(C(F)(F)F)cccn12
• InChI: InChI=1S/C28H28N6O4.C28H28N6O3.C27H21F3N6O.C27H24N6O/c1-18-10-9-15-33-24(18)29-23(20-11-5-3-6-12-20)26(33)31-28(37)30-25-19(2)27(38-17-22(36)16-35)32-34(25)21-13-7-4-8-14-21;1-18-11-10-16-33-24(18)29-23(21-12-6-4-7-13-21)26(33)31-28(36)30-25-20(3)27(37-17-19(2)35)32-34(25)22-14-8-5-9-15-22;28-27(29,30)20-14-8-16-35-24(20)31-22(17-9-3-1-4-10-17)25(35)33-26(37)32-23-19-13-7-15-21(19)34-36(23)18-11-5-2-6-12-18;1-18-10-9-17-32-24(18)28-23(19-11-4-2-5-12-19)26(32)30-27(34)29-25-21-15-8-16-22(21)31-33(25)20-13-6-3-7-14-20/h3-15,22,35-36H,16-17H2,1-2H3,(H2,30,31,37);4-16,19,35H,17H2,1-3H3,(H2,30,31,36);1-6,8-12,14,16H,7,13,15H2,(H2,32,33,37);2-7,9-14,17H,8,15-16H2,1H3,(H2,29,30,34)/t22-;19-;;/m10../s1
• InChIKey: LWVQLEMJWMJLHD-DMEREZGASA-N
• XLogP: 21.35
• TPSA: 384.15 Ų
• H-Bond Donors: 11
• H-Bond Acceptors: 25
• Rotatable Bonds: 23
• Heavy Atoms: 146
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1960.17
LogP ≤ 5	21.35
H-Bond Donors ≤ 5	11
H-Bond Acceptors ≤ 10	25

Frequently Asked Questions

What is the IUPAC name of 1-[3-[(2R)-2,3-dihydroxypropoxy]-4-methyl-1-phenylpyrazol-5-yl]-3-(8-methyl-2-phenylimidazo[1,2-a]pyridin-3-yl)urea;1-[3-[(2S)-2-hydroxypropoxy]-4-methyl-1-phenylpyrazol-5-yl]-3-(8-methyl-2-phenylimidazo[1,2-a]pyridin-3-yl)urea;1-(8-methyl-2-phenylimidazo[1,2-a]pyridin-3-yl)-3-(2-phenyl-5,6-dihydro-4H-cyclopenta[c]pyrazol-3-yl)urea;1-(2-phenyl-5,6-dihydro-4H-cyclopenta[c]pyrazol-3-yl)-3-[2-phenyl-8-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]urea?

The IUPAC name of 1-[3-[(2R)-2,3-dihydroxypropoxy]-4-methyl-1-phenylpyrazol-5-yl]-3-(8-methyl-2-phenylimidazo[1,2-a]pyridin-3-yl)urea;1-[3-[(2S)-2-hydroxypropoxy]-4-methyl-1-phenylpyrazol-5-yl]-3-(8-methyl-2-phenylimidazo[1,2-a]pyridin-3-yl)urea;1-(8-methyl-2-phenylimidazo[1,2-a]pyridin-3-yl)-3-(2-phenyl-5,6-dihydro-4H-cyclopenta[c]pyrazol-3-yl)urea;1-(2-phenyl-5,6-dihydro-4H-cyclopenta[c]pyrazol-3-yl)-3-[2-phenyl-8-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]urea (CID 159479727) is 1-[3-[(2R)-2,3-dihydroxypropoxy]-4-methyl-1-phenylpyrazol-5-yl]-3-(8-methyl-2-phenylimidazo[1,2-a]pyridin-3-yl)urea;1-[3-[(2S)-2-hydroxypropoxy]-4-methyl-1-phenylpyrazol-5-yl]-3-(8-methyl-2-phenylimidazo[1,2-a]pyridin-3-yl)urea;1-(8-methyl-2-phenylimidazo[1,2-a]pyridin-3-yl)-3-(2-phenyl-5,6-dihydro-4H-cyclopenta[c]pyrazol-3-yl)urea;1-(2-phenyl-5,6-dihydro-4H-cyclopenta[c]pyrazol-3-yl)-3-[2-phenyl-8-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]urea.

What is the SMILES notation for 1-[3-[(2R)-2,3-dihydroxypropoxy]-4-methyl-1-phenylpyrazol-5-yl]-3-(8-methyl-2-phenylimidazo[1,2-a]pyridin-3-yl)urea;1-[3-[(2S)-2-hydroxypropoxy]-4-methyl-1-phenylpyrazol-5-yl]-3-(8-methyl-2-phenylimidazo[1,2-a]pyridin-3-yl)urea;1-(8-methyl-2-phenylimidazo[1,2-a]pyridin-3-yl)-3-(2-phenyl-5,6-dihydro-4H-cyclopenta[c]pyrazol-3-yl)urea;1-(2-phenyl-5,6-dihydro-4H-cyclopenta[c]pyrazol-3-yl)-3-[2-phenyl-8-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]urea?

The canonical SMILES for 1-[3-[(2R)-2,3-dihydroxypropoxy]-4-methyl-1-phenylpyrazol-5-yl]-3-(8-methyl-2-phenylimidazo[1,2-a]pyridin-3-yl)urea;1-[3-[(2S)-2-hydroxypropoxy]-4-methyl-1-phenylpyrazol-5-yl]-3-(8-methyl-2-phenylimidazo[1,2-a]pyridin-3-yl)urea;1-(8-methyl-2-phenylimidazo[1,2-a]pyridin-3-yl)-3-(2-phenyl-5,6-dihydro-4H-cyclopenta[c]pyrazol-3-yl)urea;1-(2-phenyl-5,6-dihydro-4H-cyclopenta[c]pyrazol-3-yl)-3-[2-phenyl-8-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]urea is Cc1c(OC[C@H](C)O)nn(-c2ccccc2)c1NC(=O)Nc1c(-c2ccccc2)nc2c(C)cccn12.Cc1c(OC[C@H](O)CO)nn(-c2ccccc2)c1NC(=O)Nc1c(-c2ccccc2)nc2c(C)cccn12.Cc1cccn2c(NC(=O)Nc3c4c(nn3-c3ccccc3)CCC4)c(-c3ccccc3)nc12.O=C(Nc1c2c(nn1-c1ccccc1)CCC2)Nc1c(-c2ccccc2)nc2c(C(F)(F)F)cccn12.

What is the InChIKey of 1-[3-[(2R)-2,3-dihydroxypropoxy]-4-methyl-1-phenylpyrazol-5-yl]-3-(8-methyl-2-phenylimidazo[1,2-a]pyridin-3-yl)urea;1-[3-[(2S)-2-hydroxypropoxy]-4-methyl-1-phenylpyrazol-5-yl]-3-(8-methyl-2-phenylimidazo[1,2-a]pyridin-3-yl)urea;1-(8-methyl-2-phenylimidazo[1,2-a]pyridin-3-yl)-3-(2-phenyl-5,6-dihydro-4H-cyclopenta[c]pyrazol-3-yl)urea;1-(2-phenyl-5,6-dihydro-4H-cyclopenta[c]pyrazol-3-yl)-3-[2-phenyl-8-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]urea?

The InChIKey is LWVQLEMJWMJLHD-DMEREZGASA-N. The full InChI is InChI=1S/C28H28N6O4.C28H28N6O3.C27H21F3N6O.C27H24N6O/c1-18-10-9-15-33-24(18)29-23(20-11-5-3-6-12-20)26(33)31-28(37)30-25-19(2)27(38-17-22(36)16-35)32-34(25)21-13-7-4-8-14-21;1-18-11-10-16-33-24(18)29-23(21-12-6-4-7-13-21)26(33)31-28(36)30-25-20(3)27(37-17-19(2)35)32-34(25)22-14-8-5-9-15-22;28-27(29,30)20-14-8-16-35-24(20)31-22(17-9-3-1-4-10-17)25(35)33-26(37)32-23-19-13-7-15-21(19)34-36(23)18-11-5-2-6-12-18;1-18-10-9-17-32-24(18)28-23(19-11-4-2-5-12-19)26(32)30-27(34)29-25-21-15-8-16-22(21)31-33(25)20-13-6-3-7-14-20/h3-15,22,35-36H,16-17H2,1-2H3,(H2,30,31,37);4-16,19,35H,17H2,1-3H3,(H2,30,31,36);1-6,8-12,14,16H,7,13,15H2,(H2,32,33,37);2-7,9-14,17H,8,15-16H2,1H3,(H2,29,30,34)/t22-;19-;;/m10../s1.

What are the key properties of 1-[3-[(2R)-2,3-dihydroxypropoxy]-4-methyl-1-phenylpyrazol-5-yl]-3-(8-methyl-2-phenylimidazo[1,2-a]pyridin-3-yl)urea;1-[3-[(2S)-2-hydroxypropoxy]-4-methyl-1-phenylpyrazol-5-yl]-3-(8-methyl-2-phenylimidazo[1,2-a]pyridin-3-yl)urea;1-(8-methyl-2-phenylimidazo[1,2-a]pyridin-3-yl)-3-(2-phenyl-5,6-dihydro-4H-cyclopenta[c]pyrazol-3-yl)urea;1-(2-phenyl-5,6-dihydro-4H-cyclopenta[c]pyrazol-3-yl)-3-[2-phenyl-8-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]urea?

1-[3-[(2R)-2,3-dihydroxypropoxy]-4-methyl-1-phenylpyrazol-5-yl]-3-(8-methyl-2-phenylimidazo[1,2-a]pyridin-3-yl)urea;1-[3-[(2S)-2-hydroxypropoxy]-4-methyl-1-phenylpyrazol-5-yl]-3-(8-methyl-2-phenylimidazo[1,2-a]pyridin-3-yl)urea;1-(8-methyl-2-phenylimidazo[1,2-a]pyridin-3-yl)-3-(2-phenyl-5,6-dihydro-4H-cyclopenta[c]pyrazol-3-yl)urea;1-(2-phenyl-5,6-dihydro-4H-cyclopenta[c]pyrazol-3-yl)-3-[2-phenyl-8-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]urea has a molecular weight of 1960.17 g/mol, XLogP of 21.35, 23 rotatable bonds, 11 hydrogen bond donors, and 25 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[3-[(2R)-2,3-dihydroxypropoxy]-4-methyl-1-phenylpyrazol-5-yl]-3-(8-methyl-2-phenylimidazo[1,2-a]pyridin-3-yl)urea;1-[3-[(2S)-2-hydroxypropoxy]-4-methyl-1-phenylpyrazol-5-yl]-3-(8-methyl-2-phenylimidazo[1,2-a]pyridin-3-yl)urea;1-(8-methyl-2-phenylimidazo[1,2-a]pyridin-3-yl)-3-(2-phenyl-5,6-dihydro-4H-cyclopenta[c]pyrazol-3-yl)urea;1-(2-phenyl-5,6-dihydro-4H-cyclopenta[c]pyrazol-3-yl)-3-[2-phenyl-8-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]urea is sourced from PubChem (CID 159479727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).