1-[4-(3-amino-6-cyclopropyl-1-methylpyrazolo[5,4-b]pyridin-4-yl)phenyl]-3-(2-fluoro-5-methoxyphenyl)urea;1-[4-(3-amino-6-cyclopropyl-1-methylpyrazolo[5,4-b]pyridin-4-yl)phenyl]-3-(3-fluoro-5-methoxyphenyl)urea;1-[4-(3-amino-6-cyclopropyl-1-methylpyrazolo[5,4-b]pyridin-4-yl)phenyl]-3-(3-methoxyphenyl)urea;1-[4-(3-amino-6-cyclopropyl-1-methylpyrazolo[5,4-b]pyridin-4-yl)phenyl]-3-(4-methoxyphenyl)urea

C96H94F2N24O8 — CID 160751102

IUPAC1-[4-(3-amino-6-cyclopropyl-1-methylpyrazolo[5,4-b]pyridin-4-yl)phenyl]-3-(2-fluoro-5-methoxyphenyl)urea;1-[4-(3-amino-6-cyclopropyl-1-methylpyrazolo[5,4-b]pyridin-4-yl)phenyl]-3-(3-fluoro-5-methoxyphenyl)urea;1-[4-(3-amino-6-cyclopropyl-1-methylpyrazolo[5,4-b]pyridin-4-yl)phenyl]-3-(3-methoxyphenyl)urea;1-[4-(3-amino-6-cyclopropyl-1-methylpyrazolo[5,4-b]pyridin-4-yl)phenyl]-3-(4-methoxyphenyl)urea
SMILESCOc1cc(F)cc(NC(=O)Nc2ccc(-c3cc(C4CC4)nc4c3c(N)nn4C)cc2)c1.COc1ccc(F)c(NC(=O)Nc2ccc(-c3cc(C4CC4)nc4c3c(N)nn4C)cc2)c1.COc1ccc(NC(=O)Nc2ccc(-c3cc(C4CC4)nc4c3c(N)nn4C)cc2)cc1.COc1cccc(NC(=O)Nc2ccc(-c3cc(C4CC4)nc4c3c(N)nn4C)cc2)c1
InChIInChI=1S/2C24H23FN6O2.2C24H24N6O2/c1-31-23-21(22(26)30-31)19(12-20(29-23)14-3-4-14)13-5-7-16(8-6-13)27-24(32)28-17-9-15(25)10-18(11-17)33-2;1-31-23-21(22(26)30-31)17(12-19(28-23)14-3-4-14)13-5-7-15(8-6-13)27-24(32)29-20-11-16(33-2)9-10-18(20)25;1-30-23-21(22(25)29-30)19(13-20(28-23)15-3-4-15)14-5-7-16(8-6-14)26-24(31)27-17-9-11-18(32-2)12-10-17;1-30-23-21(22(25)29-30)19(13-20(28-23)15-6-7-15)14-8-10-16(11-9-14)26-24(31)27-17-4-3-5-18(12-17)32-2/h5-12,14H,3-4H2,1-2H3,(H2,26,30)(H2,27,28,32);5-12,14H,3-4H2,1-2H3,(H2,26,30)(H2,27,29,32);5-13,15H,3-4H2,1-2H3,(H2,25,29)(H2,26,27,31);3-5,8-13,15H,6-7H2,1-2H3,(H2,25,29)(H2,26,27,31)
InChIKeyRWVFYBJFXGGISX-UHFFFAOYSA-N
MW1749.96 g/mol
LogP19.27
Rot. Bonds20

About 1-[4-(3-amino-6-cyclopropyl-1-methylpyrazolo[5,4-b]pyridin-4-yl)phenyl]-3-(2-fluoro-5-methoxyphenyl)urea;1-[4-(3-amino-6-cyclopropyl-1-methylpyrazolo[5,4-b]pyridin-4-yl)phenyl]-3-(3-fluoro-5-methoxyphenyl)urea;1-[4-(3-amino-6-cyclopropyl-1-methylpyrazolo[5,4-b]pyridin-4-yl)phenyl]-3-(3-methoxyphenyl)urea;1-[4-(3-amino-6-cyclopropyl-1-methylpyrazolo[5,4-b]pyridin-4-yl)phenyl]-3-(4-methoxyphenyl)urea

1-[4-(3-amino-6-cyclopropyl-1-methylpyrazolo[5,4-b]pyridin-4-yl)phenyl]-3-(2-fluoro-5-methoxyphenyl)urea;1-[4-(3-amino-6-cyclopropyl-1-methylpyrazolo[5,4-b]pyridin-4-yl)phenyl]-3-(3-fluoro-5-methoxyphenyl)urea;1-[4-(3-amino-6-cyclopropyl-1-methylpyrazolo[5,4-b]pyridin-4-yl)phenyl]-3-(3-methoxyphenyl)urea;1-[4-(3-amino-6-cyclopropyl-1-methylpyrazolo[5,4-b]pyridin-4-yl)phenyl]-3-(4-methoxyphenyl)urea (PubChem CID 160751102) has the molecular formula C96H94F2N24O8 and a molecular weight of 1749.96 g/mol. Its IUPAC name is 1-[4-(3-amino-6-cyclopropyl-1-methylpyrazolo[5,4-b]pyridin-4-yl)phenyl]-3-(2-fluoro-5-methoxyphenyl)urea;1-[4-(3-amino-6-cyclopropyl-1-methylpyrazolo[5,4-b]pyridin-4-yl)phenyl]-3-(3-fluoro-5-methoxyphenyl)urea;1-[4-(3-amino-6-cyclopropyl-1-methylpyrazolo[5,4-b]pyridin-4-yl)phenyl]-3-(3-methoxyphenyl)urea;1-[4-(3-amino-6-cyclopropyl-1-methylpyrazolo[5,4-b]pyridin-4-yl)phenyl]-3-(4-methoxyphenyl)urea.

Molecular Properties

Compound Name1-[4-(3-amino-6-cyclopropyl-1-methylpyrazolo[5,4-b]pyridin-4-yl)phenyl]-3-(2-fluoro-5-methoxyphenyl)urea;1-[4-(3-amino-6-cyclopropyl-1-methylpyrazolo[5,4-b]pyridin-4-yl)phenyl]-3-(3-fluoro-5-methoxyphenyl)urea;1-[4-(3-amino-6-cyclopropyl-1-methylpyrazolo[5,4-b]pyridin-4-yl)phenyl]-3-(3-methoxyphenyl)urea;1-[4-(3-amino-6-cyclopropyl-1-methylpyrazolo[5,4-b]pyridin-4-yl)phenyl]-3-(4-methoxyphenyl)urea
PubChem CID160751102
Molecular FormulaC96H94F2N24O8
Molecular Weight1749.96 g/mol
Exact Mass1748.77
IUPAC Name1-[4-(3-amino-6-cyclopropyl-1-methylpyrazolo[5,4-b]pyridin-4-yl)phenyl]-3-(2-fluoro-5-methoxyphenyl)urea;1-[4-(3-amino-6-cyclopropyl-1-methylpyrazolo[5,4-b]pyridin-4-yl)phenyl]-3-(3-fluoro-5-methoxyphenyl)urea;1-[4-(3-amino-6-cyclopropyl-1-methylpyrazolo[5,4-b]pyridin-4-yl)phenyl]-3-(3-methoxyphenyl)urea;1-[4-(3-amino-6-cyclopropyl-1-methylpyrazolo[5,4-b]pyridin-4-yl)phenyl]-3-(4-methoxyphenyl)urea
SMILESCOc1cc(F)cc(NC(=O)Nc2ccc(-c3cc(C4CC4)nc4c3c(N)nn4C)cc2)c1.COc1ccc(F)c(NC(=O)Nc2ccc(-c3cc(C4CC4)nc4c3c(N)nn4C)cc2)c1.COc1ccc(NC(=O)Nc2ccc(-c3cc(C4CC4)nc4c3c(N)nn4C)cc2)cc1.COc1cccc(NC(=O)Nc2ccc(-c3cc(C4CC4)nc4c3c(N)nn4C)cc2)c1
InChIInChI=1S/2C24H23FN6O2.2C24H24N6O2/c1-31-23-21(22(26)30-31)19(12-20(29-23)14-3-4-14)13-5-7-16(8-6-13)27-24(32)28-17-9-15(25)10-18(11-17)33-2;1-31-23-21(22(26)30-31)17(12-19(28-23)14-3-4-14)13-5-7-15(8-6-13)27-24(32)29-20-11-16(33-2)9-10-18(20)25;1-30-23-21(22(25)29-30)19(13-20(28-23)15-3-4-15)14-5-7-16(8-6-14)26-24(31)27-17-9-11-18(32-2)12-10-17;1-30-23-21(22(25)29-30)19(13-20(28-23)15-6-7-15)14-8-10-16(11-9-14)26-24(31)27-17-4-3-5-18(12-17)32-2/h5-12,14H,3-4H2,1-2H3,(H2,26,30)(H2,27,28,32);5-12,14H,3-4H2,1-2H3,(H2,26,30)(H2,27,29,32);5-13,15H,3-4H2,1-2H3,(H2,25,29)(H2,26,27,31);3-5,8-13,15H,6-7H2,1-2H3,(H2,25,29)(H2,26,27,31)
InChIKeyRWVFYBJFXGGISX-UHFFFAOYSA-N
XLogP19.27
TPSA428.36 Ų
H-Bond Donors12
H-Bond Acceptors24
Rotatable Bonds20
Heavy Atoms130
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001749.96
LogP ≤ 519.27
H-Bond Donors ≤ 512
H-Bond Acceptors ≤ 1024

Analyze 1-[4-(3-amino-6-cyclopropyl-1-methylpyrazolo[5,4-b]pyridin-4-yl)phenyl]-3-(2-fluoro-5-methoxyphenyl)urea;1-[4-(3-amino-6-cyclopropyl-1-methylpyrazolo[5,4-b]pyridin-4-yl)phenyl]-3-(3-fluoro-5-methoxyphenyl)urea;1-[4-(3-amino-6-cyclopropyl-1-methylpyrazolo[5,4-b]pyridin-4-yl)phenyl]-3-(3-methoxyphenyl)urea;1-[4-(3-amino-6-cyclopropyl-1-methylpyrazolo[5,4-b]pyridin-4-yl)phenyl]-3-(4-methoxyphenyl)urea with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(3-amino-6-cyclopropyl-1-methylpyrazolo[5,4-b]pyridin-4-yl)phenyl]-3-(2-fluoro-5-methoxyphenyl)urea;1-[4-(3-amino-6-cyclopropyl-1-methylpyrazolo[5,4-b]pyridin-4-yl)phenyl]-3-(3-fluoro-5-methoxyphenyl)urea;1-[4-(3-amino-6-cyclopropyl-1-methylpyrazolo[5,4-b]pyridin-4-yl)phenyl]-3-(3-methoxyphenyl)urea;1-[4-(3-amino-6-cyclopropyl-1-methylpyrazolo[5,4-b]pyridin-4-yl)phenyl]-3-(4-methoxyphenyl)urea?
The IUPAC name of 1-[4-(3-amino-6-cyclopropyl-1-methylpyrazolo[5,4-b]pyridin-4-yl)phenyl]-3-(2-fluoro-5-methoxyphenyl)urea;1-[4-(3-amino-6-cyclopropyl-1-methylpyrazolo[5,4-b]pyridin-4-yl)phenyl]-3-(3-fluoro-5-methoxyphenyl)urea;1-[4-(3-amino-6-cyclopropyl-1-methylpyrazolo[5,4-b]pyridin-4-yl)phenyl]-3-(3-methoxyphenyl)urea;1-[4-(3-amino-6-cyclopropyl-1-methylpyrazolo[5,4-b]pyridin-4-yl)phenyl]-3-(4-methoxyphenyl)urea (CID 160751102) is 1-[4-(3-amino-6-cyclopropyl-1-methylpyrazolo[5,4-b]pyridin-4-yl)phenyl]-3-(2-fluoro-5-methoxyphenyl)urea;1-[4-(3-amino-6-cyclopropyl-1-methylpyrazolo[5,4-b]pyridin-4-yl)phenyl]-3-(3-fluoro-5-methoxyphenyl)urea;1-[4-(3-amino-6-cyclopropyl-1-methylpyrazolo[5,4-b]pyridin-4-yl)phenyl]-3-(3-methoxyphenyl)urea;1-[4-(3-amino-6-cyclopropyl-1-methylpyrazolo[5,4-b]pyridin-4-yl)phenyl]-3-(4-methoxyphenyl)urea.
What is the SMILES notation for 1-[4-(3-amino-6-cyclopropyl-1-methylpyrazolo[5,4-b]pyridin-4-yl)phenyl]-3-(2-fluoro-5-methoxyphenyl)urea;1-[4-(3-amino-6-cyclopropyl-1-methylpyrazolo[5,4-b]pyridin-4-yl)phenyl]-3-(3-fluoro-5-methoxyphenyl)urea;1-[4-(3-amino-6-cyclopropyl-1-methylpyrazolo[5,4-b]pyridin-4-yl)phenyl]-3-(3-methoxyphenyl)urea;1-[4-(3-amino-6-cyclopropyl-1-methylpyrazolo[5,4-b]pyridin-4-yl)phenyl]-3-(4-methoxyphenyl)urea?
The canonical SMILES for 1-[4-(3-amino-6-cyclopropyl-1-methylpyrazolo[5,4-b]pyridin-4-yl)phenyl]-3-(2-fluoro-5-methoxyphenyl)urea;1-[4-(3-amino-6-cyclopropyl-1-methylpyrazolo[5,4-b]pyridin-4-yl)phenyl]-3-(3-fluoro-5-methoxyphenyl)urea;1-[4-(3-amino-6-cyclopropyl-1-methylpyrazolo[5,4-b]pyridin-4-yl)phenyl]-3-(3-methoxyphenyl)urea;1-[4-(3-amino-6-cyclopropyl-1-methylpyrazolo[5,4-b]pyridin-4-yl)phenyl]-3-(4-methoxyphenyl)urea is COc1cc(F)cc(NC(=O)Nc2ccc(-c3cc(C4CC4)nc4c3c(N)nn4C)cc2)c1.COc1ccc(F)c(NC(=O)Nc2ccc(-c3cc(C4CC4)nc4c3c(N)nn4C)cc2)c1.COc1ccc(NC(=O)Nc2ccc(-c3cc(C4CC4)nc4c3c(N)nn4C)cc2)cc1.COc1cccc(NC(=O)Nc2ccc(-c3cc(C4CC4)nc4c3c(N)nn4C)cc2)c1.
What is the InChIKey of 1-[4-(3-amino-6-cyclopropyl-1-methylpyrazolo[5,4-b]pyridin-4-yl)phenyl]-3-(2-fluoro-5-methoxyphenyl)urea;1-[4-(3-amino-6-cyclopropyl-1-methylpyrazolo[5,4-b]pyridin-4-yl)phenyl]-3-(3-fluoro-5-methoxyphenyl)urea;1-[4-(3-amino-6-cyclopropyl-1-methylpyrazolo[5,4-b]pyridin-4-yl)phenyl]-3-(3-methoxyphenyl)urea;1-[4-(3-amino-6-cyclopropyl-1-methylpyrazolo[5,4-b]pyridin-4-yl)phenyl]-3-(4-methoxyphenyl)urea?
The InChIKey is RWVFYBJFXGGISX-UHFFFAOYSA-N. The full InChI is InChI=1S/2C24H23FN6O2.2C24H24N6O2/c1-31-23-21(22(26)30-31)19(12-20(29-23)14-3-4-14)13-5-7-16(8-6-13)27-24(32)28-17-9-15(25)10-18(11-17)33-2;1-31-23-21(22(26)30-31)17(12-19(28-23)14-3-4-14)13-5-7-15(8-6-13)27-24(32)29-20-11-16(33-2)9-10-18(20)25;1-30-23-21(22(25)29-30)19(13-20(28-23)15-3-4-15)14-5-7-16(8-6-14)26-24(31)27-17-9-11-18(32-2)12-10-17;1-30-23-21(22(25)29-30)19(13-20(28-23)15-6-7-15)14-8-10-16(11-9-14)26-24(31)27-17-4-3-5-18(12-17)32-2/h5-12,14H,3-4H2,1-2H3,(H2,26,30)(H2,27,28,32);5-12,14H,3-4H2,1-2H3,(H2,26,30)(H2,27,29,32);5-13,15H,3-4H2,1-2H3,(H2,25,29)(H2,26,27,31);3-5,8-13,15H,6-7H2,1-2H3,(H2,25,29)(H2,26,27,31).
What are the key properties of 1-[4-(3-amino-6-cyclopropyl-1-methylpyrazolo[5,4-b]pyridin-4-yl)phenyl]-3-(2-fluoro-5-methoxyphenyl)urea;1-[4-(3-amino-6-cyclopropyl-1-methylpyrazolo[5,4-b]pyridin-4-yl)phenyl]-3-(3-fluoro-5-methoxyphenyl)urea;1-[4-(3-amino-6-cyclopropyl-1-methylpyrazolo[5,4-b]pyridin-4-yl)phenyl]-3-(3-methoxyphenyl)urea;1-[4-(3-amino-6-cyclopropyl-1-methylpyrazolo[5,4-b]pyridin-4-yl)phenyl]-3-(4-methoxyphenyl)urea?
1-[4-(3-amino-6-cyclopropyl-1-methylpyrazolo[5,4-b]pyridin-4-yl)phenyl]-3-(2-fluoro-5-methoxyphenyl)urea;1-[4-(3-amino-6-cyclopropyl-1-methylpyrazolo[5,4-b]pyridin-4-yl)phenyl]-3-(3-fluoro-5-methoxyphenyl)urea;1-[4-(3-amino-6-cyclopropyl-1-methylpyrazolo[5,4-b]pyridin-4-yl)phenyl]-3-(3-methoxyphenyl)urea;1-[4-(3-amino-6-cyclopropyl-1-methylpyrazolo[5,4-b]pyridin-4-yl)phenyl]-3-(4-methoxyphenyl)urea has a molecular weight of 1749.96 g/mol, XLogP of 19.27, 20 rotatable bonds, 12 hydrogen bond donors, and 24 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(3-amino-6-cyclopropyl-1-methylpyrazolo[5,4-b]pyridin-4-yl)phenyl]-3-(2-fluoro-5-methoxyphenyl)urea;1-[4-(3-amino-6-cyclopropyl-1-methylpyrazolo[5,4-b]pyridin-4-yl)phenyl]-3-(3-fluoro-5-methoxyphenyl)urea;1-[4-(3-amino-6-cyclopropyl-1-methylpyrazolo[5,4-b]pyridin-4-yl)phenyl]-3-(3-methoxyphenyl)urea;1-[4-(3-amino-6-cyclopropyl-1-methylpyrazolo[5,4-b]pyridin-4-yl)phenyl]-3-(4-methoxyphenyl)urea is sourced from PubChem (CID 160751102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).