[2-[2-[1-[(2-fluorophenyl)methyl]-4,5-dihydropyrazolo[5,4-b]pyridin-3-yl]pyrimidin-5-yl]phenyl]methanol

C24H20FN5O — CID 142853360

IUPAC[2-[2-[1-[(2-fluorophenyl)methyl]-4,5-dihydropyrazolo[5,4-b]pyridin-3-yl]pyrimidin-5-yl]phenyl]methanol
SMILESOCc1ccccc1-c1cnc(-c2nn(Cc3ccccc3F)c3c2CCC=N3)nc1
InChIInChI=1S/C24H20FN5O/c25-21-10-4-2-6-16(21)14-30-24-20(9-5-11-26-24)22(29-30)23-27-12-18(13-28-23)19-8-3-1-7-17(19)15-31/h1-4,6-8,10-13,31H,5,9,14-15H2
InChIKeySUWDIJOQEWERMQ-UHFFFAOYSA-N
MW413.46 g/mol
LogP4.34
Rot. Bonds5

About [2-[2-[1-[(2-fluorophenyl)methyl]-4,5-dihydropyrazolo[5,4-b]pyridin-3-yl]pyrimidin-5-yl]phenyl]methanol

[2-[2-[1-[(2-fluorophenyl)methyl]-4,5-dihydropyrazolo[5,4-b]pyridin-3-yl]pyrimidin-5-yl]phenyl]methanol (PubChem CID 142853360) has the molecular formula C24H20FN5O and a molecular weight of 413.46 g/mol. Its IUPAC name is [2-[2-[1-[(2-fluorophenyl)methyl]-4,5-dihydropyrazolo[5,4-b]pyridin-3-yl]pyrimidin-5-yl]phenyl]methanol.

Molecular Properties

Compound Name[2-[2-[1-[(2-fluorophenyl)methyl]-4,5-dihydropyrazolo[5,4-b]pyridin-3-yl]pyrimidin-5-yl]phenyl]methanol
PubChem CID142853360
Molecular FormulaC24H20FN5O
Molecular Weight413.46 g/mol
Exact Mass413.17
IUPAC Name[2-[2-[1-[(2-fluorophenyl)methyl]-4,5-dihydropyrazolo[5,4-b]pyridin-3-yl]pyrimidin-5-yl]phenyl]methanol
SMILESOCc1ccccc1-c1cnc(-c2nn(Cc3ccccc3F)c3c2CCC=N3)nc1
InChIInChI=1S/C24H20FN5O/c25-21-10-4-2-6-16(21)14-30-24-20(9-5-11-26-24)22(29-30)23-27-12-18(13-28-23)19-8-3-1-7-17(19)15-31/h1-4,6-8,10-13,31H,5,9,14-15H2
InChIKeySUWDIJOQEWERMQ-UHFFFAOYSA-N
XLogP4.34
TPSA76.19 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.46
LogP ≤ 54.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [2-[2-[1-[(2-fluorophenyl)methyl]-4,5-dihydropyrazolo[5,4-b]pyridin-3-yl]pyrimidin-5-yl]phenyl]methanol?
The IUPAC name of [2-[2-[1-[(2-fluorophenyl)methyl]-4,5-dihydropyrazolo[5,4-b]pyridin-3-yl]pyrimidin-5-yl]phenyl]methanol (CID 142853360) is [2-[2-[1-[(2-fluorophenyl)methyl]-4,5-dihydropyrazolo[5,4-b]pyridin-3-yl]pyrimidin-5-yl]phenyl]methanol.
What is the SMILES notation for [2-[2-[1-[(2-fluorophenyl)methyl]-4,5-dihydropyrazolo[5,4-b]pyridin-3-yl]pyrimidin-5-yl]phenyl]methanol?
The canonical SMILES for [2-[2-[1-[(2-fluorophenyl)methyl]-4,5-dihydropyrazolo[5,4-b]pyridin-3-yl]pyrimidin-5-yl]phenyl]methanol is OCc1ccccc1-c1cnc(-c2nn(Cc3ccccc3F)c3c2CCC=N3)nc1.
What is the InChIKey of [2-[2-[1-[(2-fluorophenyl)methyl]-4,5-dihydropyrazolo[5,4-b]pyridin-3-yl]pyrimidin-5-yl]phenyl]methanol?
The InChIKey is SUWDIJOQEWERMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20FN5O/c25-21-10-4-2-6-16(21)14-30-24-20(9-5-11-26-24)22(29-30)23-27-12-18(13-28-23)19-8-3-1-7-17(19)15-31/h1-4,6-8,10-13,31H,5,9,14-15H2.
What are the key properties of [2-[2-[1-[(2-fluorophenyl)methyl]-4,5-dihydropyrazolo[5,4-b]pyridin-3-yl]pyrimidin-5-yl]phenyl]methanol?
[2-[2-[1-[(2-fluorophenyl)methyl]-4,5-dihydropyrazolo[5,4-b]pyridin-3-yl]pyrimidin-5-yl]phenyl]methanol has a molecular weight of 413.46 g/mol, XLogP of 4.34, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[2-[1-[(2-fluorophenyl)methyl]-4,5-dihydropyrazolo[5,4-b]pyridin-3-yl]pyrimidin-5-yl]phenyl]methanol is sourced from PubChem (CID 142853360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).