3-fluoro-5-[2-[5-(1,2,3,6-tetrahydropyridin-4-yl)-1H-pyrazolo[3,4-c]pyridin-3-yl]-1H-indol-4-yl]phenol

C25H20FN5O — CID 137113537

IUPAC3-fluoro-5-[2-[5-(1,2,3,6-tetrahydropyridin-4-yl)-1H-pyrazolo[3,4-c]pyridin-3-yl]-1H-indol-4-yl]phenol
SMILESOc1cc(F)cc(-c2cccc3[nH]c(-c4n[nH]c5cnc(C6=CCNCC6)cc45)cc23)c1
InChIInChI=1S/C25H20FN5O/c26-16-8-15(9-17(32)10-16)18-2-1-3-21-19(18)11-23(29-21)25-20-12-22(14-4-6-27-7-5-14)28-13-24(20)30-31-25/h1-4,8-13,27,29,32H,5-7H2,(H,30,31)
InChIKeyJUXXHGKHUQWRCJ-UHFFFAOYSA-N
MW425.47 g/mol
LogP4.99
Rot. Bonds3

About 3-fluoro-5-[2-[5-(1,2,3,6-tetrahydropyridin-4-yl)-1H-pyrazolo[3,4-c]pyridin-3-yl]-1H-indol-4-yl]phenol

3-fluoro-5-[2-[5-(1,2,3,6-tetrahydropyridin-4-yl)-1H-pyrazolo[3,4-c]pyridin-3-yl]-1H-indol-4-yl]phenol (PubChem CID 137113537) has the molecular formula C25H20FN5O and a molecular weight of 425.47 g/mol. Its IUPAC name is 3-fluoro-5-[2-[5-(1,2,3,6-tetrahydropyridin-4-yl)-1H-pyrazolo[3,4-c]pyridin-3-yl]-1H-indol-4-yl]phenol.

Molecular Properties

Compound Name3-fluoro-5-[2-[5-(1,2,3,6-tetrahydropyridin-4-yl)-1H-pyrazolo[3,4-c]pyridin-3-yl]-1H-indol-4-yl]phenol
PubChem CID137113537
Molecular FormulaC25H20FN5O
Molecular Weight425.47 g/mol
Exact Mass425.17
IUPAC Name3-fluoro-5-[2-[5-(1,2,3,6-tetrahydropyridin-4-yl)-1H-pyrazolo[3,4-c]pyridin-3-yl]-1H-indol-4-yl]phenol
SMILESOc1cc(F)cc(-c2cccc3[nH]c(-c4n[nH]c5cnc(C6=CCNCC6)cc45)cc23)c1
InChIInChI=1S/C25H20FN5O/c26-16-8-15(9-17(32)10-16)18-2-1-3-21-19(18)11-23(29-21)25-20-12-22(14-4-6-27-7-5-14)28-13-24(20)30-31-25/h1-4,8-13,27,29,32H,5-7H2,(H,30,31)
InChIKeyJUXXHGKHUQWRCJ-UHFFFAOYSA-N
XLogP4.99
TPSA89.62 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.47
LogP ≤ 54.99
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-fluoro-5-[2-[5-(1,2,3,6-tetrahydropyridin-4-yl)-1H-pyrazolo[3,4-c]pyridin-3-yl]-1H-indol-4-yl]phenol?
The IUPAC name of 3-fluoro-5-[2-[5-(1,2,3,6-tetrahydropyridin-4-yl)-1H-pyrazolo[3,4-c]pyridin-3-yl]-1H-indol-4-yl]phenol (CID 137113537) is 3-fluoro-5-[2-[5-(1,2,3,6-tetrahydropyridin-4-yl)-1H-pyrazolo[3,4-c]pyridin-3-yl]-1H-indol-4-yl]phenol.
What is the SMILES notation for 3-fluoro-5-[2-[5-(1,2,3,6-tetrahydropyridin-4-yl)-1H-pyrazolo[3,4-c]pyridin-3-yl]-1H-indol-4-yl]phenol?
The canonical SMILES for 3-fluoro-5-[2-[5-(1,2,3,6-tetrahydropyridin-4-yl)-1H-pyrazolo[3,4-c]pyridin-3-yl]-1H-indol-4-yl]phenol is Oc1cc(F)cc(-c2cccc3[nH]c(-c4n[nH]c5cnc(C6=CCNCC6)cc45)cc23)c1.
What is the InChIKey of 3-fluoro-5-[2-[5-(1,2,3,6-tetrahydropyridin-4-yl)-1H-pyrazolo[3,4-c]pyridin-3-yl]-1H-indol-4-yl]phenol?
The InChIKey is JUXXHGKHUQWRCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H20FN5O/c26-16-8-15(9-17(32)10-16)18-2-1-3-21-19(18)11-23(29-21)25-20-12-22(14-4-6-27-7-5-14)28-13-24(20)30-31-25/h1-4,8-13,27,29,32H,5-7H2,(H,30,31).
What are the key properties of 3-fluoro-5-[2-[5-(1,2,3,6-tetrahydropyridin-4-yl)-1H-pyrazolo[3,4-c]pyridin-3-yl]-1H-indol-4-yl]phenol?
3-fluoro-5-[2-[5-(1,2,3,6-tetrahydropyridin-4-yl)-1H-pyrazolo[3,4-c]pyridin-3-yl]-1H-indol-4-yl]phenol has a molecular weight of 425.47 g/mol, XLogP of 4.99, 3 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-5-[2-[5-(1,2,3,6-tetrahydropyridin-4-yl)-1H-pyrazolo[3,4-c]pyridin-3-yl]-1H-indol-4-yl]phenol is sourced from PubChem (CID 137113537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).