1-[4-(6-tert-butyl-1H-pyrazolo[5,4-b]pyridin-4-yl)phenyl]-3-[2-chloro-5-(trifluoromethyl)phenyl]urea;1-[4-(6-tert-butyl-1H-pyrazolo[5,4-b]pyridin-4-yl)phenyl]-3-(3-ethoxyphenyl)urea;1-[4-(6-tert-butyl-1H-pyrazolo[5,4-b]pyridin-4-yl)phenyl]-3-[2-fluoro-5-(trifluoromethyl)phenyl]urea;1-[4-(6-tert-butyl-1H-pyrazolo[5,4-b]pyridin-4-yl)phenyl]-3-(4-phenylphenyl)urea

C102H96ClF7N20O5 — CID 159800001

IUPAC1-[4-(6-tert-butyl-1H-pyrazolo[5,4-b]pyridin-4-yl)phenyl]-3-[2-chloro-5-(trifluoromethyl)phenyl]urea;1-[4-(6-tert-butyl-1H-pyrazolo[5,4-b]pyridin-4-yl)phenyl]-3-(3-ethoxyphenyl)urea;1-[4-(6-tert-butyl-1H-pyrazolo[5,4-b]pyridin-4-yl)phenyl]-3-[2-fluoro-5-(trifluoromethyl)phenyl]urea;1-[4-(6-tert-butyl-1H-pyrazolo[5,4-b]pyridin-4-yl)phenyl]-3-(4-phenylphenyl)urea
SMILESCC(C)(C)c1cc(-c2ccc(NC(=O)Nc3cc(C(F)(F)F)ccc3Cl)cc2)c2cn[nH]c2n1.CC(C)(C)c1cc(-c2ccc(NC(=O)Nc3cc(C(F)(F)F)ccc3F)cc2)c2cn[nH]c2n1.CC(C)(C)c1cc(-c2ccc(NC(=O)Nc3ccc(-c4ccccc4)cc3)cc2)c2cn[nH]c2n1.CCOc1cccc(NC(=O)Nc2ccc(-c3cc(C(C)(C)C)nc4[nH]ncc34)cc2)c1
InChIInChI=1S/C29H27N5O.C25H27N5O2.C24H21ClF3N5O.C24H21F4N5O/c1-29(2,3)26-17-24(25-18-30-34-27(25)33-26)21-11-15-23(16-12-21)32-28(35)31-22-13-9-20(10-14-22)19-7-5-4-6-8-19;1-5-32-19-8-6-7-18(13-19)28-24(31)27-17-11-9-16(10-12-17)20-14-22(25(2,3)4)29-23-21(20)15-26-30-23;2*1-23(2,3)20-11-16(17-12-29-33-21(17)32-20)13-4-7-15(8-5-13)30-22(34)31-19-10-14(24(26,27)28)6-9-18(19)25/h4-18H,1-3H3,(H,30,33,34)(H2,31,32,35);6-15H,5H2,1-4H3,(H,26,29,30)(H2,27,28,31);2*4-12H,1-3H3,(H,29,32,33)(H2,30,31,34)
InChIKeyNJQYPBJEOBUKPI-UHFFFAOYSA-N
MW1850.46 g/mol
LogP27.16
Rot. Bonds15

About 1-[4-(6-tert-butyl-1H-pyrazolo[5,4-b]pyridin-4-yl)phenyl]-3-[2-chloro-5-(trifluoromethyl)phenyl]urea;1-[4-(6-tert-butyl-1H-pyrazolo[5,4-b]pyridin-4-yl)phenyl]-3-(3-ethoxyphenyl)urea;1-[4-(6-tert-butyl-1H-pyrazolo[5,4-b]pyridin-4-yl)phenyl]-3-[2-fluoro-5-(trifluoromethyl)phenyl]urea;1-[4-(6-tert-butyl-1H-pyrazolo[5,4-b]pyridin-4-yl)phenyl]-3-(4-phenylphenyl)urea

1-[4-(6-tert-butyl-1H-pyrazolo[5,4-b]pyridin-4-yl)phenyl]-3-[2-chloro-5-(trifluoromethyl)phenyl]urea;1-[4-(6-tert-butyl-1H-pyrazolo[5,4-b]pyridin-4-yl)phenyl]-3-(3-ethoxyphenyl)urea;1-[4-(6-tert-butyl-1H-pyrazolo[5,4-b]pyridin-4-yl)phenyl]-3-[2-fluoro-5-(trifluoromethyl)phenyl]urea;1-[4-(6-tert-butyl-1H-pyrazolo[5,4-b]pyridin-4-yl)phenyl]-3-(4-phenylphenyl)urea (PubChem CID 159800001) has the molecular formula C102H96ClF7N20O5 and a molecular weight of 1850.46 g/mol. Its IUPAC name is 1-[4-(6-tert-butyl-1H-pyrazolo[5,4-b]pyridin-4-yl)phenyl]-3-[2-chloro-5-(trifluoromethyl)phenyl]urea;1-[4-(6-tert-butyl-1H-pyrazolo[5,4-b]pyridin-4-yl)phenyl]-3-(3-ethoxyphenyl)urea;1-[4-(6-tert-butyl-1H-pyrazolo[5,4-b]pyridin-4-yl)phenyl]-3-[2-fluoro-5-(trifluoromethyl)phenyl]urea;1-[4-(6-tert-butyl-1H-pyrazolo[5,4-b]pyridin-4-yl)phenyl]-3-(4-phenylphenyl)urea.

Molecular Properties

Compound Name1-[4-(6-tert-butyl-1H-pyrazolo[5,4-b]pyridin-4-yl)phenyl]-3-[2-chloro-5-(trifluoromethyl)phenyl]urea;1-[4-(6-tert-butyl-1H-pyrazolo[5,4-b]pyridin-4-yl)phenyl]-3-(3-ethoxyphenyl)urea;1-[4-(6-tert-butyl-1H-pyrazolo[5,4-b]pyridin-4-yl)phenyl]-3-[2-fluoro-5-(trifluoromethyl)phenyl]urea;1-[4-(6-tert-butyl-1H-pyrazolo[5,4-b]pyridin-4-yl)phenyl]-3-(4-phenylphenyl)urea
PubChem CID159800001
Molecular FormulaC102H96ClF7N20O5
Molecular Weight1850.46 g/mol
Exact Mass1848.74
IUPAC Name1-[4-(6-tert-butyl-1H-pyrazolo[5,4-b]pyridin-4-yl)phenyl]-3-[2-chloro-5-(trifluoromethyl)phenyl]urea;1-[4-(6-tert-butyl-1H-pyrazolo[5,4-b]pyridin-4-yl)phenyl]-3-(3-ethoxyphenyl)urea;1-[4-(6-tert-butyl-1H-pyrazolo[5,4-b]pyridin-4-yl)phenyl]-3-[2-fluoro-5-(trifluoromethyl)phenyl]urea;1-[4-(6-tert-butyl-1H-pyrazolo[5,4-b]pyridin-4-yl)phenyl]-3-(4-phenylphenyl)urea
SMILESCC(C)(C)c1cc(-c2ccc(NC(=O)Nc3cc(C(F)(F)F)ccc3Cl)cc2)c2cn[nH]c2n1.CC(C)(C)c1cc(-c2ccc(NC(=O)Nc3cc(C(F)(F)F)ccc3F)cc2)c2cn[nH]c2n1.CC(C)(C)c1cc(-c2ccc(NC(=O)Nc3ccc(-c4ccccc4)cc3)cc2)c2cn[nH]c2n1.CCOc1cccc(NC(=O)Nc2ccc(-c3cc(C(C)(C)C)nc4[nH]ncc34)cc2)c1
InChIInChI=1S/C29H27N5O.C25H27N5O2.C24H21ClF3N5O.C24H21F4N5O/c1-29(2,3)26-17-24(25-18-30-34-27(25)33-26)21-11-15-23(16-12-21)32-28(35)31-22-13-9-20(10-14-22)19-7-5-4-6-8-19;1-5-32-19-8-6-7-18(13-19)28-24(31)27-17-11-9-16(10-12-17)20-14-22(25(2,3)4)29-23-21(20)15-26-30-23;2*1-23(2,3)20-11-16(17-12-29-33-21(17)32-20)13-4-7-15(8-5-13)30-22(34)31-19-10-14(24(26,27)28)6-9-18(19)25/h4-18H,1-3H3,(H,30,33,34)(H2,31,32,35);6-15H,5H2,1-4H3,(H,26,29,30)(H2,27,28,31);2*4-12H,1-3H3,(H,29,32,33)(H2,30,31,34)
InChIKeyNJQYPBJEOBUKPI-UHFFFAOYSA-N
XLogP27.16
TPSA340.03 Ų
H-Bond Donors12
H-Bond Acceptors13
Rotatable Bonds15
Heavy Atoms135
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001850.46
LogP ≤ 527.16
H-Bond Donors ≤ 512
H-Bond Acceptors ≤ 1013

Analyze 1-[4-(6-tert-butyl-1H-pyrazolo[5,4-b]pyridin-4-yl)phenyl]-3-[2-chloro-5-(trifluoromethyl)phenyl]urea;1-[4-(6-tert-butyl-1H-pyrazolo[5,4-b]pyridin-4-yl)phenyl]-3-(3-ethoxyphenyl)urea;1-[4-(6-tert-butyl-1H-pyrazolo[5,4-b]pyridin-4-yl)phenyl]-3-[2-fluoro-5-(trifluoromethyl)phenyl]urea;1-[4-(6-tert-butyl-1H-pyrazolo[5,4-b]pyridin-4-yl)phenyl]-3-(4-phenylphenyl)urea with MolForge

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Related Compounds

6-[4-[[3-(4-chloro-2-fluorophenyl)-1H-pyrrolo[2,3-b]pyridin-4-yl]oxymethyl]-4-methylpiperidin-2-yl]-4-[(1,4-dimethylpiperidin-4-yl)methoxy]-3-(1H-pyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine
CID 146333247
1-[4-chloro-3-(trifluoromethyl)phenyl]-3-[3-fluoro-4-(1H-pyrazolo[5,4-d]pyrimidin-4-yloxy)phenyl]urea;1-(2,3-dimethylphenyl)-3-[4-(1H-pyrazolo[5,4-d]pyrimidin-4-yloxy)phenyl]urea;1-[3-fluoro-4-(1H-pyrazolo[5,4-d]pyrimidin-4-yloxy)phenyl]-3-[4-(trifluoromethyl)phenyl]urea;1-(3-methoxyphenyl)-3-[4-(1H-pyrazolo[5,4-d]pyrimidin-4-yloxy)phenyl]urea;1-(3-propan-2-ylphenyl)-3-[4-(1H-pyrazolo[5,4-d]pyrimidin-4-yloxy)phenyl]urea;1-[4-(1H-pyrazolo[5,4-d]pyrimidin-4-yloxy)phenyl]-3-[3-(trifluoromethoxy)phenyl]urea;1-[4-(1H-pyrazolo[5,4-d]pyrimidin-4-yloxy)phenyl]-3-[3-(trifluoromethyl)phenyl]urea
CID 159463405
1-[4-(6-Tert-butyl-1-methylpyrazolo[5,4-b]pyridin-4-yl)phenyl]-3-[4-(diethylaminomethyl)-3-(trifluoromethyl)phenyl]urea;1-[4-(6-tert-butyl-1-methylpyrazolo[5,4-b]pyridin-4-yl)phenyl]-3-[3-methoxy-4-[(4-methylpiperazin-1-yl)methyl]phenyl]urea;1-[4-(6-tert-butyl-1-methylpyrazolo[5,4-b]pyridin-4-yl)phenyl]-3-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]urea
CID 161042333
1-[3,5-bis(trifluoromethyl)phenyl]-3-[4-(1H-pyrazolo[5,4-d]pyrimidin-4-yloxy)phenyl]urea;1-[2-chloro-4-(trifluoromethyl)phenyl]-3-[4-(1H-pyrazolo[5,4-d]pyrimidin-4-yloxy)phenyl]urea;1-(3-fluorophenyl)-3-[4-(1H-pyrazolo[5,4-d]pyrimidin-4-yloxy)phenyl]urea;1-(4-fluorophenyl)-3-[4-(1H-pyrazolo[5,4-d]pyrimidin-4-yloxy)phenyl]urea;1-[2-methyl-4-(1H-pyrazolo[5,4-d]pyrimidin-4-yloxy)phenyl]-3-[3-(trifluoromethyl)phenyl]urea;1-(4-morpholin-4-ylphenyl)-3-[4-(1H-pyrazolo[5,4-d]pyrimidin-4-yloxy)phenyl]urea;1-phenyl-3-[4-(1H-pyrazolo[5,4-d]pyrimidin-4-yloxy)phenyl]urea
CID 161759987
4-chloro-2-(5-chloro-2-fluorophenyl)-5-prop-1-en-2-ylpyridine;N-[2-(5-chloro-2-fluorophenyl)-5-propan-2-yl-4-pyridinyl]-1-[(4-methoxyphenyl)methyl]pyrazolo[3,4-d]pyrimidin-4-amine;N-[2-(5-chloro-2-fluorophenyl)-5-propan-2-yl-4-pyridinyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine;N-[2-(5-chloro-2-fluorophenyl)-5-prop-1-en-2-yl-4-pyridinyl]-1-[(4-methoxyphenyl)methyl]pyrazolo[3,4-d]pyrimidin-4-amine
CID 157170843

Frequently Asked Questions

What is the IUPAC name of 1-[4-(6-tert-butyl-1H-pyrazolo[5,4-b]pyridin-4-yl)phenyl]-3-[2-chloro-5-(trifluoromethyl)phenyl]urea;1-[4-(6-tert-butyl-1H-pyrazolo[5,4-b]pyridin-4-yl)phenyl]-3-(3-ethoxyphenyl)urea;1-[4-(6-tert-butyl-1H-pyrazolo[5,4-b]pyridin-4-yl)phenyl]-3-[2-fluoro-5-(trifluoromethyl)phenyl]urea;1-[4-(6-tert-butyl-1H-pyrazolo[5,4-b]pyridin-4-yl)phenyl]-3-(4-phenylphenyl)urea?
The IUPAC name of 1-[4-(6-tert-butyl-1H-pyrazolo[5,4-b]pyridin-4-yl)phenyl]-3-[2-chloro-5-(trifluoromethyl)phenyl]urea;1-[4-(6-tert-butyl-1H-pyrazolo[5,4-b]pyridin-4-yl)phenyl]-3-(3-ethoxyphenyl)urea;1-[4-(6-tert-butyl-1H-pyrazolo[5,4-b]pyridin-4-yl)phenyl]-3-[2-fluoro-5-(trifluoromethyl)phenyl]urea;1-[4-(6-tert-butyl-1H-pyrazolo[5,4-b]pyridin-4-yl)phenyl]-3-(4-phenylphenyl)urea (CID 159800001) is 1-[4-(6-tert-butyl-1H-pyrazolo[5,4-b]pyridin-4-yl)phenyl]-3-[2-chloro-5-(trifluoromethyl)phenyl]urea;1-[4-(6-tert-butyl-1H-pyrazolo[5,4-b]pyridin-4-yl)phenyl]-3-(3-ethoxyphenyl)urea;1-[4-(6-tert-butyl-1H-pyrazolo[5,4-b]pyridin-4-yl)phenyl]-3-[2-fluoro-5-(trifluoromethyl)phenyl]urea;1-[4-(6-tert-butyl-1H-pyrazolo[5,4-b]pyridin-4-yl)phenyl]-3-(4-phenylphenyl)urea.
What is the SMILES notation for 1-[4-(6-tert-butyl-1H-pyrazolo[5,4-b]pyridin-4-yl)phenyl]-3-[2-chloro-5-(trifluoromethyl)phenyl]urea;1-[4-(6-tert-butyl-1H-pyrazolo[5,4-b]pyridin-4-yl)phenyl]-3-(3-ethoxyphenyl)urea;1-[4-(6-tert-butyl-1H-pyrazolo[5,4-b]pyridin-4-yl)phenyl]-3-[2-fluoro-5-(trifluoromethyl)phenyl]urea;1-[4-(6-tert-butyl-1H-pyrazolo[5,4-b]pyridin-4-yl)phenyl]-3-(4-phenylphenyl)urea?
The canonical SMILES for 1-[4-(6-tert-butyl-1H-pyrazolo[5,4-b]pyridin-4-yl)phenyl]-3-[2-chloro-5-(trifluoromethyl)phenyl]urea;1-[4-(6-tert-butyl-1H-pyrazolo[5,4-b]pyridin-4-yl)phenyl]-3-(3-ethoxyphenyl)urea;1-[4-(6-tert-butyl-1H-pyrazolo[5,4-b]pyridin-4-yl)phenyl]-3-[2-fluoro-5-(trifluoromethyl)phenyl]urea;1-[4-(6-tert-butyl-1H-pyrazolo[5,4-b]pyridin-4-yl)phenyl]-3-(4-phenylphenyl)urea is CC(C)(C)c1cc(-c2ccc(NC(=O)Nc3cc(C(F)(F)F)ccc3Cl)cc2)c2cn[nH]c2n1.CC(C)(C)c1cc(-c2ccc(NC(=O)Nc3cc(C(F)(F)F)ccc3F)cc2)c2cn[nH]c2n1.CC(C)(C)c1cc(-c2ccc(NC(=O)Nc3ccc(-c4ccccc4)cc3)cc2)c2cn[nH]c2n1.CCOc1cccc(NC(=O)Nc2ccc(-c3cc(C(C)(C)C)nc4[nH]ncc34)cc2)c1.
What is the InChIKey of 1-[4-(6-tert-butyl-1H-pyrazolo[5,4-b]pyridin-4-yl)phenyl]-3-[2-chloro-5-(trifluoromethyl)phenyl]urea;1-[4-(6-tert-butyl-1H-pyrazolo[5,4-b]pyridin-4-yl)phenyl]-3-(3-ethoxyphenyl)urea;1-[4-(6-tert-butyl-1H-pyrazolo[5,4-b]pyridin-4-yl)phenyl]-3-[2-fluoro-5-(trifluoromethyl)phenyl]urea;1-[4-(6-tert-butyl-1H-pyrazolo[5,4-b]pyridin-4-yl)phenyl]-3-(4-phenylphenyl)urea?
The InChIKey is NJQYPBJEOBUKPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H27N5O.C25H27N5O2.C24H21ClF3N5O.C24H21F4N5O/c1-29(2,3)26-17-24(25-18-30-34-27(25)33-26)21-11-15-23(16-12-21)32-28(35)31-22-13-9-20(10-14-22)19-7-5-4-6-8-19;1-5-32-19-8-6-7-18(13-19)28-24(31)27-17-11-9-16(10-12-17)20-14-22(25(2,3)4)29-23-21(20)15-26-30-23;2*1-23(2,3)20-11-16(17-12-29-33-21(17)32-20)13-4-7-15(8-5-13)30-22(34)31-19-10-14(24(26,27)28)6-9-18(19)25/h4-18H,1-3H3,(H,30,33,34)(H2,31,32,35);6-15H,5H2,1-4H3,(H,26,29,30)(H2,27,28,31);2*4-12H,1-3H3,(H,29,32,33)(H2,30,31,34).
What are the key properties of 1-[4-(6-tert-butyl-1H-pyrazolo[5,4-b]pyridin-4-yl)phenyl]-3-[2-chloro-5-(trifluoromethyl)phenyl]urea;1-[4-(6-tert-butyl-1H-pyrazolo[5,4-b]pyridin-4-yl)phenyl]-3-(3-ethoxyphenyl)urea;1-[4-(6-tert-butyl-1H-pyrazolo[5,4-b]pyridin-4-yl)phenyl]-3-[2-fluoro-5-(trifluoromethyl)phenyl]urea;1-[4-(6-tert-butyl-1H-pyrazolo[5,4-b]pyridin-4-yl)phenyl]-3-(4-phenylphenyl)urea?
1-[4-(6-tert-butyl-1H-pyrazolo[5,4-b]pyridin-4-yl)phenyl]-3-[2-chloro-5-(trifluoromethyl)phenyl]urea;1-[4-(6-tert-butyl-1H-pyrazolo[5,4-b]pyridin-4-yl)phenyl]-3-(3-ethoxyphenyl)urea;1-[4-(6-tert-butyl-1H-pyrazolo[5,4-b]pyridin-4-yl)phenyl]-3-[2-fluoro-5-(trifluoromethyl)phenyl]urea;1-[4-(6-tert-butyl-1H-pyrazolo[5,4-b]pyridin-4-yl)phenyl]-3-(4-phenylphenyl)urea has a molecular weight of 1850.46 g/mol, XLogP of 27.16, 15 rotatable bonds, 12 hydrogen bond donors, and 13 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(6-tert-butyl-1H-pyrazolo[5,4-b]pyridin-4-yl)phenyl]-3-[2-chloro-5-(trifluoromethyl)phenyl]urea;1-[4-(6-tert-butyl-1H-pyrazolo[5,4-b]pyridin-4-yl)phenyl]-3-(3-ethoxyphenyl)urea;1-[4-(6-tert-butyl-1H-pyrazolo[5,4-b]pyridin-4-yl)phenyl]-3-[2-fluoro-5-(trifluoromethyl)phenyl]urea;1-[4-(6-tert-butyl-1H-pyrazolo[5,4-b]pyridin-4-yl)phenyl]-3-(4-phenylphenyl)urea is sourced from PubChem (CID 159800001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).