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4-[3-[5-[3-[2-[(2R)-2-fluoro-2-phenylethyl]indazol-4-yl]-5-methyl-4-propan-2-ylpyrazol-1-yl]-6-methylpyrazolo[3,4-b]pyridin-2-yl]propyl]morpholine

C36H41FN8O — CID 171533811

Data last refreshed: (MolForge compound catalog, from PubChem)

IUPAC4-[3-[5-[3-[2-[(2R)-2-fluoro-2-phenylethyl]indazol-4-yl]-5-methyl-4-propan-2-ylpyrazol-1-yl]-6-methylpyrazolo[3,4-b]pyridin-2-yl]propyl]morpholine
SMILESCc1nc2nn(CCCN3CCOCC3)cc2cc1-n1nc(-c2cccc3nn(C[C@H](F)c4ccccc4)cc23)c(C(C)C)c1C
InChIInChI=1S/C36H41FN8O/c1-24(2)34-26(4)45(33-20-28-21-43(41-36(28)38-25(33)3)15-9-14-42-16-18-46-19-17-42)40-35(34)29-12-8-13-32-30(29)22-44(39-32)23-31(37)27-10-6-5-7-11-27/h5-8,10-13,20-22,24,31H,9,14-19,23H2,1-4H3/t31-/m0/s1
InChIKeyLVMQIMDWPOBLSU-HKBQPEDESA-N
MW620.78 g/mol
LogP6.81
Rot. Bonds10

About 4-[3-[5-[3-[2-[(2R)-2-fluoro-2-phenylethyl]indazol-4-yl]-5-methyl-4-propan-2-ylpyrazol-1-yl]-6-methylpyrazolo[3,4-b]pyridin-2-yl]propyl]morpholine

4-[3-[5-[3-[2-[(2R)-2-fluoro-2-phenylethyl]indazol-4-yl]-5-methyl-4-propan-2-ylpyrazol-1-yl]-6-methylpyrazolo[3,4-b]pyridin-2-yl]propyl]morpholine (PubChem CID 171533811) has the molecular formula C36H41FN8O and a molecular weight of 620.78 g/mol. Its IUPAC name is 4-[3-[5-[3-[2-[(2R)-2-fluoro-2-phenylethyl]indazol-4-yl]-5-methyl-4-propan-2-ylpyrazol-1-yl]-6-methylpyrazolo[3,4-b]pyridin-2-yl]propyl]morpholine.

Molecular Properties

Compound Name4-[3-[5-[3-[2-[(2R)-2-fluoro-2-phenylethyl]indazol-4-yl]-5-methyl-4-propan-2-ylpyrazol-1-yl]-6-methylpyrazolo[3,4-b]pyridin-2-yl]propyl]morpholine
PubChem CID171533811
Molecular FormulaC36H41FN8O
Molecular Weight620.78 g/mol
Exact Mass620.34
IUPAC Name4-[3-[5-[3-[2-[(2R)-2-fluoro-2-phenylethyl]indazol-4-yl]-5-methyl-4-propan-2-ylpyrazol-1-yl]-6-methylpyrazolo[3,4-b]pyridin-2-yl]propyl]morpholine
SMILESCc1nc2nn(CCCN3CCOCC3)cc2cc1-n1nc(-c2cccc3nn(C[C@H](F)c4ccccc4)cc23)c(C(C)C)c1C
InChIInChI=1S/C36H41FN8O/c1-24(2)34-26(4)45(33-20-28-21-43(41-36(28)38-25(33)3)15-9-14-42-16-18-46-19-17-42)40-35(34)29-12-8-13-32-30(29)22-44(39-32)23-31(37)27-10-6-5-7-11-27/h5-8,10-13,20-22,24,31H,9,14-19,23H2,1-4H3/t31-/m0/s1
InChIKeyLVMQIMDWPOBLSU-HKBQPEDESA-N
XLogP6.81
TPSA78.82 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds10
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500620.78
LogP ≤ 56.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Analyze 4-[3-[5-[3-[2-[(2R)-2-fluoro-2-phenylethyl]indazol-4-yl]-5-methyl-4-propan-2-ylpyrazol-1-yl]-6-methylpyrazolo[3,4-b]pyridin-2-yl]propyl]morpholine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-[3-[5-[3-[2-[(2R)-2-fluoro-2-phenylethyl]indazol-4-yl]-5-methyl-4-propan-2-ylpyrazol-1-yl]-6-methylpyrazolo[3,4-b]pyridin-2-yl]propyl]morpholine?
The IUPAC name of 4-[3-[5-[3-[2-[(2R)-2-fluoro-2-phenylethyl]indazol-4-yl]-5-methyl-4-propan-2-ylpyrazol-1-yl]-6-methylpyrazolo[3,4-b]pyridin-2-yl]propyl]morpholine (CID 171533811) is 4-[3-[5-[3-[2-[(2R)-2-fluoro-2-phenylethyl]indazol-4-yl]-5-methyl-4-propan-2-ylpyrazol-1-yl]-6-methylpyrazolo[3,4-b]pyridin-2-yl]propyl]morpholine.
What is the SMILES notation for 4-[3-[5-[3-[2-[(2R)-2-fluoro-2-phenylethyl]indazol-4-yl]-5-methyl-4-propan-2-ylpyrazol-1-yl]-6-methylpyrazolo[3,4-b]pyridin-2-yl]propyl]morpholine?
The canonical SMILES for 4-[3-[5-[3-[2-[(2R)-2-fluoro-2-phenylethyl]indazol-4-yl]-5-methyl-4-propan-2-ylpyrazol-1-yl]-6-methylpyrazolo[3,4-b]pyridin-2-yl]propyl]morpholine is Cc1nc2nn(CCCN3CCOCC3)cc2cc1-n1nc(-c2cccc3nn(C[C@H](F)c4ccccc4)cc23)c(C(C)C)c1C.
What is the InChIKey of 4-[3-[5-[3-[2-[(2R)-2-fluoro-2-phenylethyl]indazol-4-yl]-5-methyl-4-propan-2-ylpyrazol-1-yl]-6-methylpyrazolo[3,4-b]pyridin-2-yl]propyl]morpholine?
The InChIKey is LVMQIMDWPOBLSU-HKBQPEDESA-N. The full InChI is InChI=1S/C36H41FN8O/c1-24(2)34-26(4)45(33-20-28-21-43(41-36(28)38-25(33)3)15-9-14-42-16-18-46-19-17-42)40-35(34)29-12-8-13-32-30(29)22-44(39-32)23-31(37)27-10-6-5-7-11-27/h5-8,10-13,20-22,24,31H,9,14-19,23H2,1-4H3/t31-/m0/s1.
What are the key properties of 4-[3-[5-[3-[2-[(2R)-2-fluoro-2-phenylethyl]indazol-4-yl]-5-methyl-4-propan-2-ylpyrazol-1-yl]-6-methylpyrazolo[3,4-b]pyridin-2-yl]propyl]morpholine?
4-[3-[5-[3-[2-[(2R)-2-fluoro-2-phenylethyl]indazol-4-yl]-5-methyl-4-propan-2-ylpyrazol-1-yl]-6-methylpyrazolo[3,4-b]pyridin-2-yl]propyl]morpholine has a molecular weight of 620.78 g/mol, XLogP of 6.81, 10 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-[5-[3-[2-[(2R)-2-fluoro-2-phenylethyl]indazol-4-yl]-5-methyl-4-propan-2-ylpyrazol-1-yl]-6-methylpyrazolo[3,4-b]pyridin-2-yl]propyl]morpholine is sourced from PubChem (CID 171533811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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