1-[4-(4-amino-1-methylpyrazolo[4,3-c]pyridin-3-yl)-2-fluorophenyl]-3-[3-tert-butyl-1-(4-methylphenyl)pyrazol-5-yl]urea;1-[4-(4-amino-1-methylpyrazolo[3,4-d]pyrimidin-3-yl)-3-fluorophenyl]-3-[3-tert-butyl-1-(4-methylphenyl)pyrazol-5-yl]urea;2-[4-(4-amino-7-methylpyrrolo[2,3-d]pyrimidin-5-yl)cyclohex-3-en-1-yl]-N-[3-tert-butyl-1-(4-methylphenyl)pyrazol-5-yl]acetamide

C84H92F2N24O3 — CID 161306099

IUPAC1-[4-(4-amino-1-methylpyrazolo[4,3-c]pyridin-3-yl)-2-fluorophenyl]-3-[3-tert-butyl-1-(4-methylphenyl)pyrazol-5-yl]urea;1-[4-(4-amino-1-methylpyrazolo[3,4-d]pyrimidin-3-yl)-3-fluorophenyl]-3-[3-tert-butyl-1-(4-methylphenyl)pyrazol-5-yl]urea;2-[4-(4-amino-7-methylpyrrolo[2,3-d]pyrimidin-5-yl)cyclohex-3-en-1-yl]-N-[3-tert-butyl-1-(4-methylphenyl)pyrazol-5-yl]acetamide
SMILESCc1ccc(-n2nc(C(C)(C)C)cc2NC(=O)CC2CC=C(c3cn(C)c4ncnc(N)c34)CC2)cc1.Cc1ccc(-n2nc(C(C)(C)C)cc2NC(=O)Nc2ccc(-c3nn(C)c4ccnc(N)c34)cc2F)cc1.Cc1ccc(-n2nc(C(C)(C)C)cc2NC(=O)Nc2ccc(-c3nn(C)c4ncnc(N)c34)c(F)c2)cc1
InChIInChI=1S/C29H35N7O.C28H29FN8O.C27H28FN9O/c1-18-6-12-21(13-7-18)36-24(15-23(34-36)29(2,3)4)33-25(37)14-19-8-10-20(11-9-19)22-16-35(5)28-26(22)27(30)31-17-32-28;1-16-6-9-18(10-7-16)37-23(15-22(34-37)28(2,3)4)33-27(38)32-20-11-8-17(14-19(20)29)25-24-21(36(5)35-25)12-13-31-26(24)30;1-15-6-9-17(10-7-15)37-21(13-20(34-37)27(2,3)4)33-26(38)32-16-8-11-18(19(28)12-16)23-22-24(29)30-14-31-25(22)36(5)35-23/h6-7,10,12-13,15-17,19H,8-9,11,14H2,1-5H3,(H,33,37)(H2,30,31,32);6-15H,1-5H3,(H2,30,31)(H2,32,33,38);6-14H,1-5H3,(H2,29,30,31)(H2,32,33,38)
InChIKeyVIGMKTWBVFDLSM-UHFFFAOYSA-N
MW1523.82 g/mol
LogP16.53
Rot. Bonds13

About 1-[4-(4-amino-1-methylpyrazolo[4,3-c]pyridin-3-yl)-2-fluorophenyl]-3-[3-tert-butyl-1-(4-methylphenyl)pyrazol-5-yl]urea;1-[4-(4-amino-1-methylpyrazolo[3,4-d]pyrimidin-3-yl)-3-fluorophenyl]-3-[3-tert-butyl-1-(4-methylphenyl)pyrazol-5-yl]urea;2-[4-(4-amino-7-methylpyrrolo[2,3-d]pyrimidin-5-yl)cyclohex-3-en-1-yl]-N-[3-tert-butyl-1-(4-methylphenyl)pyrazol-5-yl]acetamide

1-[4-(4-amino-1-methylpyrazolo[4,3-c]pyridin-3-yl)-2-fluorophenyl]-3-[3-tert-butyl-1-(4-methylphenyl)pyrazol-5-yl]urea;1-[4-(4-amino-1-methylpyrazolo[3,4-d]pyrimidin-3-yl)-3-fluorophenyl]-3-[3-tert-butyl-1-(4-methylphenyl)pyrazol-5-yl]urea;2-[4-(4-amino-7-methylpyrrolo[2,3-d]pyrimidin-5-yl)cyclohex-3-en-1-yl]-N-[3-tert-butyl-1-(4-methylphenyl)pyrazol-5-yl]acetamide (PubChem CID 161306099) has the molecular formula C84H92F2N24O3 and a molecular weight of 1523.82 g/mol. Its IUPAC name is 1-[4-(4-amino-1-methylpyrazolo[4,3-c]pyridin-3-yl)-2-fluorophenyl]-3-[3-tert-butyl-1-(4-methylphenyl)pyrazol-5-yl]urea;1-[4-(4-amino-1-methylpyrazolo[3,4-d]pyrimidin-3-yl)-3-fluorophenyl]-3-[3-tert-butyl-1-(4-methylphenyl)pyrazol-5-yl]urea;2-[4-(4-amino-7-methylpyrrolo[2,3-d]pyrimidin-5-yl)cyclohex-3-en-1-yl]-N-[3-tert-butyl-1-(4-methylphenyl)pyrazol-5-yl]acetamide.

Molecular Properties

Compound Name1-[4-(4-amino-1-methylpyrazolo[4,3-c]pyridin-3-yl)-2-fluorophenyl]-3-[3-tert-butyl-1-(4-methylphenyl)pyrazol-5-yl]urea;1-[4-(4-amino-1-methylpyrazolo[3,4-d]pyrimidin-3-yl)-3-fluorophenyl]-3-[3-tert-butyl-1-(4-methylphenyl)pyrazol-5-yl]urea;2-[4-(4-amino-7-methylpyrrolo[2,3-d]pyrimidin-5-yl)cyclohex-3-en-1-yl]-N-[3-tert-butyl-1-(4-methylphenyl)pyrazol-5-yl]acetamide
PubChem CID161306099
Molecular FormulaC84H92F2N24O3
Molecular Weight1523.82 g/mol
Exact Mass1522.78
IUPAC Name1-[4-(4-amino-1-methylpyrazolo[4,3-c]pyridin-3-yl)-2-fluorophenyl]-3-[3-tert-butyl-1-(4-methylphenyl)pyrazol-5-yl]urea;1-[4-(4-amino-1-methylpyrazolo[3,4-d]pyrimidin-3-yl)-3-fluorophenyl]-3-[3-tert-butyl-1-(4-methylphenyl)pyrazol-5-yl]urea;2-[4-(4-amino-7-methylpyrrolo[2,3-d]pyrimidin-5-yl)cyclohex-3-en-1-yl]-N-[3-tert-butyl-1-(4-methylphenyl)pyrazol-5-yl]acetamide
SMILESCc1ccc(-n2nc(C(C)(C)C)cc2NC(=O)CC2CC=C(c3cn(C)c4ncnc(N)c34)CC2)cc1.Cc1ccc(-n2nc(C(C)(C)C)cc2NC(=O)Nc2ccc(-c3nn(C)c4ccnc(N)c34)cc2F)cc1.Cc1ccc(-n2nc(C(C)(C)C)cc2NC(=O)Nc2ccc(-c3nn(C)c4ncnc(N)c34)c(F)c2)cc1
InChIInChI=1S/C29H35N7O.C28H29FN8O.C27H28FN9O/c1-18-6-12-21(13-7-18)36-24(15-23(34-36)29(2,3)4)33-25(37)14-19-8-10-20(11-9-19)22-16-35(5)28-26(22)27(30)31-17-32-28;1-16-6-9-18(10-7-16)37-23(15-22(34-37)28(2,3)4)33-27(38)32-20-11-8-17(14-19(20)29)25-24-21(36(5)35-25)12-13-31-26(24)30;1-15-6-9-17(10-7-15)37-21(13-20(34-37)27(2,3)4)33-26(38)32-16-8-11-18(19(28)12-16)23-22-24(29)30-14-31-25(22)36(5)35-23/h6-7,10,12-13,15-17,19H,8-9,11,14H2,1-5H3,(H,33,37)(H2,30,31,32);6-15H,1-5H3,(H2,30,31)(H2,32,33,38);6-14H,1-5H3,(H2,29,30,31)(H2,32,33,38)
InChIKeyVIGMKTWBVFDLSM-UHFFFAOYSA-N
XLogP16.53
TPSA347.90 Ų
H-Bond Donors8
H-Bond Acceptors22
Rotatable Bonds13
Heavy Atoms113
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001523.82
LogP ≤ 516.53
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1022

Analyze 1-[4-(4-amino-1-methylpyrazolo[4,3-c]pyridin-3-yl)-2-fluorophenyl]-3-[3-tert-butyl-1-(4-methylphenyl)pyrazol-5-yl]urea;1-[4-(4-amino-1-methylpyrazolo[3,4-d]pyrimidin-3-yl)-3-fluorophenyl]-3-[3-tert-butyl-1-(4-methylphenyl)pyrazol-5-yl]urea;2-[4-(4-amino-7-methylpyrrolo[2,3-d]pyrimidin-5-yl)cyclohex-3-en-1-yl]-N-[3-tert-butyl-1-(4-methylphenyl)pyrazol-5-yl]acetamide with MolForge

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Related Compounds

1-[4-(4-amino-1-methylpyrazolo[3,4-d]pyrimidin-3-yl)phenyl]-3-[3-tert-butyl-1-(4-propan-2-ylphenyl)pyrazol-5-yl]urea
CID 139571202
1-[4-(4-amino-7-cyclopropylpyrrolo[2,3-d]pyrimidin-5-yl)-2-fluorophenyl]-3-[3-fluoro-4-[(1-methylpiperidin-4-yl)methyl]phenyl]urea
CID 168833204
1-[4-(4-amino-7-methylpyrrolo[2,3-d]pyrimidin-5-yl)-3-methylphenyl]-3-(4-methylphenyl)urea
CID 166025001
1-[5-(4-amino-7-cyclopropylpyrrolo[2,3-d]pyrimidin-5-yl)imidazo[1,2-a]pyridin-8-yl]-3-[3-tert-butyl-1-(4-chlorophenyl)pyrazol-5-yl]urea
CID 171091188
1-[4-[4-amino-1-[4-(4-methylpiperazin-1-yl)cyclohexyl]pyrazolo[3,4-d]pyrimidin-3-yl]-2-fluorophenyl]-3-(3-methylphenyl)urea
CID 20817126
1-[4-(6-amino-8-methylpurin-9-yl)phenyl]-3-[3-tert-butyl-1-(4-methylphenyl)pyrazol-5-yl]urea
CID 15986300
propyl 2-[5-[[4-(4-amino-1-methylpyrazolo[3,4-d]pyrimidin-3-yl)-2-chlorophenyl]carbamoylamino]-1-(4-methylphenyl)pyrazol-3-yl]propanoate
CID 155776736
1-[4-[(1-acetylpiperidin-4-yl)methyl]phenyl]-3-[3-tert-butyl-1-(4-methylphenyl)pyrazol-5-yl]urea
CID 11283189
1-[4-(4-amino-7-cyclopropylpyrrolo[2,3-d]pyrimidin-5-yl)-2-fluorophenyl]-3-[4-[(4-aminopiperidin-1-yl)methyl]-3-(trifluoromethyl)phenyl]urea
CID 165404268
1-[4-(4-amino-7-cyclopropylpyrrolo[2,3-d]pyrimidin-5-yl)-2-fluorophenyl]-3-[4-[(3-methyl-3,8-diazabicyclo[3.2.1]octan-8-yl)methyl]-3-(trifluoromethyl)phenyl]urea
CID 165404140
1-[4-(6-aminopurin-9-yl)phenyl]-3-[3-tert-butyl-1-(3-methylphenyl)pyrazol-5-yl]urea
CID 15986479
1-[3-tert-butyl-1-(4-methylphenyl)pyrazol-5-yl]-3-(3,5-difluorophenyl)urea
CID 162645586

Frequently Asked Questions

What is the IUPAC name of 1-[4-(4-amino-1-methylpyrazolo[4,3-c]pyridin-3-yl)-2-fluorophenyl]-3-[3-tert-butyl-1-(4-methylphenyl)pyrazol-5-yl]urea;1-[4-(4-amino-1-methylpyrazolo[3,4-d]pyrimidin-3-yl)-3-fluorophenyl]-3-[3-tert-butyl-1-(4-methylphenyl)pyrazol-5-yl]urea;2-[4-(4-amino-7-methylpyrrolo[2,3-d]pyrimidin-5-yl)cyclohex-3-en-1-yl]-N-[3-tert-butyl-1-(4-methylphenyl)pyrazol-5-yl]acetamide?
The IUPAC name of 1-[4-(4-amino-1-methylpyrazolo[4,3-c]pyridin-3-yl)-2-fluorophenyl]-3-[3-tert-butyl-1-(4-methylphenyl)pyrazol-5-yl]urea;1-[4-(4-amino-1-methylpyrazolo[3,4-d]pyrimidin-3-yl)-3-fluorophenyl]-3-[3-tert-butyl-1-(4-methylphenyl)pyrazol-5-yl]urea;2-[4-(4-amino-7-methylpyrrolo[2,3-d]pyrimidin-5-yl)cyclohex-3-en-1-yl]-N-[3-tert-butyl-1-(4-methylphenyl)pyrazol-5-yl]acetamide (CID 161306099) is 1-[4-(4-amino-1-methylpyrazolo[4,3-c]pyridin-3-yl)-2-fluorophenyl]-3-[3-tert-butyl-1-(4-methylphenyl)pyrazol-5-yl]urea;1-[4-(4-amino-1-methylpyrazolo[3,4-d]pyrimidin-3-yl)-3-fluorophenyl]-3-[3-tert-butyl-1-(4-methylphenyl)pyrazol-5-yl]urea;2-[4-(4-amino-7-methylpyrrolo[2,3-d]pyrimidin-5-yl)cyclohex-3-en-1-yl]-N-[3-tert-butyl-1-(4-methylphenyl)pyrazol-5-yl]acetamide.
What is the SMILES notation for 1-[4-(4-amino-1-methylpyrazolo[4,3-c]pyridin-3-yl)-2-fluorophenyl]-3-[3-tert-butyl-1-(4-methylphenyl)pyrazol-5-yl]urea;1-[4-(4-amino-1-methylpyrazolo[3,4-d]pyrimidin-3-yl)-3-fluorophenyl]-3-[3-tert-butyl-1-(4-methylphenyl)pyrazol-5-yl]urea;2-[4-(4-amino-7-methylpyrrolo[2,3-d]pyrimidin-5-yl)cyclohex-3-en-1-yl]-N-[3-tert-butyl-1-(4-methylphenyl)pyrazol-5-yl]acetamide?
The canonical SMILES for 1-[4-(4-amino-1-methylpyrazolo[4,3-c]pyridin-3-yl)-2-fluorophenyl]-3-[3-tert-butyl-1-(4-methylphenyl)pyrazol-5-yl]urea;1-[4-(4-amino-1-methylpyrazolo[3,4-d]pyrimidin-3-yl)-3-fluorophenyl]-3-[3-tert-butyl-1-(4-methylphenyl)pyrazol-5-yl]urea;2-[4-(4-amino-7-methylpyrrolo[2,3-d]pyrimidin-5-yl)cyclohex-3-en-1-yl]-N-[3-tert-butyl-1-(4-methylphenyl)pyrazol-5-yl]acetamide is Cc1ccc(-n2nc(C(C)(C)C)cc2NC(=O)CC2CC=C(c3cn(C)c4ncnc(N)c34)CC2)cc1.Cc1ccc(-n2nc(C(C)(C)C)cc2NC(=O)Nc2ccc(-c3nn(C)c4ccnc(N)c34)cc2F)cc1.Cc1ccc(-n2nc(C(C)(C)C)cc2NC(=O)Nc2ccc(-c3nn(C)c4ncnc(N)c34)c(F)c2)cc1.
What is the InChIKey of 1-[4-(4-amino-1-methylpyrazolo[4,3-c]pyridin-3-yl)-2-fluorophenyl]-3-[3-tert-butyl-1-(4-methylphenyl)pyrazol-5-yl]urea;1-[4-(4-amino-1-methylpyrazolo[3,4-d]pyrimidin-3-yl)-3-fluorophenyl]-3-[3-tert-butyl-1-(4-methylphenyl)pyrazol-5-yl]urea;2-[4-(4-amino-7-methylpyrrolo[2,3-d]pyrimidin-5-yl)cyclohex-3-en-1-yl]-N-[3-tert-butyl-1-(4-methylphenyl)pyrazol-5-yl]acetamide?
The InChIKey is VIGMKTWBVFDLSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H35N7O.C28H29FN8O.C27H28FN9O/c1-18-6-12-21(13-7-18)36-24(15-23(34-36)29(2,3)4)33-25(37)14-19-8-10-20(11-9-19)22-16-35(5)28-26(22)27(30)31-17-32-28;1-16-6-9-18(10-7-16)37-23(15-22(34-37)28(2,3)4)33-27(38)32-20-11-8-17(14-19(20)29)25-24-21(36(5)35-25)12-13-31-26(24)30;1-15-6-9-17(10-7-15)37-21(13-20(34-37)27(2,3)4)33-26(38)32-16-8-11-18(19(28)12-16)23-22-24(29)30-14-31-25(22)36(5)35-23/h6-7,10,12-13,15-17,19H,8-9,11,14H2,1-5H3,(H,33,37)(H2,30,31,32);6-15H,1-5H3,(H2,30,31)(H2,32,33,38);6-14H,1-5H3,(H2,29,30,31)(H2,32,33,38).
What are the key properties of 1-[4-(4-amino-1-methylpyrazolo[4,3-c]pyridin-3-yl)-2-fluorophenyl]-3-[3-tert-butyl-1-(4-methylphenyl)pyrazol-5-yl]urea;1-[4-(4-amino-1-methylpyrazolo[3,4-d]pyrimidin-3-yl)-3-fluorophenyl]-3-[3-tert-butyl-1-(4-methylphenyl)pyrazol-5-yl]urea;2-[4-(4-amino-7-methylpyrrolo[2,3-d]pyrimidin-5-yl)cyclohex-3-en-1-yl]-N-[3-tert-butyl-1-(4-methylphenyl)pyrazol-5-yl]acetamide?
1-[4-(4-amino-1-methylpyrazolo[4,3-c]pyridin-3-yl)-2-fluorophenyl]-3-[3-tert-butyl-1-(4-methylphenyl)pyrazol-5-yl]urea;1-[4-(4-amino-1-methylpyrazolo[3,4-d]pyrimidin-3-yl)-3-fluorophenyl]-3-[3-tert-butyl-1-(4-methylphenyl)pyrazol-5-yl]urea;2-[4-(4-amino-7-methylpyrrolo[2,3-d]pyrimidin-5-yl)cyclohex-3-en-1-yl]-N-[3-tert-butyl-1-(4-methylphenyl)pyrazol-5-yl]acetamide has a molecular weight of 1523.82 g/mol, XLogP of 16.53, 13 rotatable bonds, 8 hydrogen bond donors, and 22 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(4-amino-1-methylpyrazolo[4,3-c]pyridin-3-yl)-2-fluorophenyl]-3-[3-tert-butyl-1-(4-methylphenyl)pyrazol-5-yl]urea;1-[4-(4-amino-1-methylpyrazolo[3,4-d]pyrimidin-3-yl)-3-fluorophenyl]-3-[3-tert-butyl-1-(4-methylphenyl)pyrazol-5-yl]urea;2-[4-(4-amino-7-methylpyrrolo[2,3-d]pyrimidin-5-yl)cyclohex-3-en-1-yl]-N-[3-tert-butyl-1-(4-methylphenyl)pyrazol-5-yl]acetamide is sourced from PubChem (CID 161306099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).