3-(3,6-dihydro-2H-pyran-4-yl)-5-[[3-(2-fluorophenyl)-5-methyl-4,6-dihydropyrrolo[3,4-c]pyrazol-2-yl]methyl]phenol

C24H24FN3O2 — CID 155591344

IUPAC3-(3,6-dihydro-2H-pyran-4-yl)-5-[[3-(2-fluorophenyl)-5-methyl-4,6-dihydropyrrolo[3,4-c]pyrazol-2-yl]methyl]phenol
SMILESCN1Cc2nn(Cc3cc(O)cc(C4=CCOCC4)c3)c(-c3ccccc3F)c2C1
InChIInChI=1S/C24H24FN3O2/c1-27-14-21-23(15-27)26-28(24(21)20-4-2-3-5-22(20)25)13-16-10-18(12-19(29)11-16)17-6-8-30-9-7-17/h2-6,10-12,29H,7-9,13-15H2,1H3
InChIKeyHPRINNNAGCDSSG-UHFFFAOYSA-N
MW405.47 g/mol
LogP4.19
Rot. Bonds4

About 3-(3,6-dihydro-2H-pyran-4-yl)-5-[[3-(2-fluorophenyl)-5-methyl-4,6-dihydropyrrolo[3,4-c]pyrazol-2-yl]methyl]phenol

3-(3,6-dihydro-2H-pyran-4-yl)-5-[[3-(2-fluorophenyl)-5-methyl-4,6-dihydropyrrolo[3,4-c]pyrazol-2-yl]methyl]phenol (PubChem CID 155591344) has the molecular formula C24H24FN3O2 and a molecular weight of 405.47 g/mol. Its IUPAC name is 3-(3,6-dihydro-2H-pyran-4-yl)-5-[[3-(2-fluorophenyl)-5-methyl-4,6-dihydropyrrolo[3,4-c]pyrazol-2-yl]methyl]phenol.

Molecular Properties

Compound Name3-(3,6-dihydro-2H-pyran-4-yl)-5-[[3-(2-fluorophenyl)-5-methyl-4,6-dihydropyrrolo[3,4-c]pyrazol-2-yl]methyl]phenol
PubChem CID155591344
Molecular FormulaC24H24FN3O2
Molecular Weight405.47 g/mol
Exact Mass405.19
IUPAC Name3-(3,6-dihydro-2H-pyran-4-yl)-5-[[3-(2-fluorophenyl)-5-methyl-4,6-dihydropyrrolo[3,4-c]pyrazol-2-yl]methyl]phenol
SMILESCN1Cc2nn(Cc3cc(O)cc(C4=CCOCC4)c3)c(-c3ccccc3F)c2C1
InChIInChI=1S/C24H24FN3O2/c1-27-14-21-23(15-27)26-28(24(21)20-4-2-3-5-22(20)25)13-16-10-18(12-19(29)11-16)17-6-8-30-9-7-17/h2-6,10-12,29H,7-9,13-15H2,1H3
InChIKeyHPRINNNAGCDSSG-UHFFFAOYSA-N
XLogP4.19
TPSA50.52 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.47
LogP ≤ 54.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(3,6-dihydro-2H-pyran-4-yl)-5-[[3-(2-fluorophenyl)-5-methyl-4,6-dihydropyrrolo[3,4-c]pyrazol-2-yl]methyl]phenol?
The IUPAC name of 3-(3,6-dihydro-2H-pyran-4-yl)-5-[[3-(2-fluorophenyl)-5-methyl-4,6-dihydropyrrolo[3,4-c]pyrazol-2-yl]methyl]phenol (CID 155591344) is 3-(3,6-dihydro-2H-pyran-4-yl)-5-[[3-(2-fluorophenyl)-5-methyl-4,6-dihydropyrrolo[3,4-c]pyrazol-2-yl]methyl]phenol.
What is the SMILES notation for 3-(3,6-dihydro-2H-pyran-4-yl)-5-[[3-(2-fluorophenyl)-5-methyl-4,6-dihydropyrrolo[3,4-c]pyrazol-2-yl]methyl]phenol?
The canonical SMILES for 3-(3,6-dihydro-2H-pyran-4-yl)-5-[[3-(2-fluorophenyl)-5-methyl-4,6-dihydropyrrolo[3,4-c]pyrazol-2-yl]methyl]phenol is CN1Cc2nn(Cc3cc(O)cc(C4=CCOCC4)c3)c(-c3ccccc3F)c2C1.
What is the InChIKey of 3-(3,6-dihydro-2H-pyran-4-yl)-5-[[3-(2-fluorophenyl)-5-methyl-4,6-dihydropyrrolo[3,4-c]pyrazol-2-yl]methyl]phenol?
The InChIKey is HPRINNNAGCDSSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24FN3O2/c1-27-14-21-23(15-27)26-28(24(21)20-4-2-3-5-22(20)25)13-16-10-18(12-19(29)11-16)17-6-8-30-9-7-17/h2-6,10-12,29H,7-9,13-15H2,1H3.
What are the key properties of 3-(3,6-dihydro-2H-pyran-4-yl)-5-[[3-(2-fluorophenyl)-5-methyl-4,6-dihydropyrrolo[3,4-c]pyrazol-2-yl]methyl]phenol?
3-(3,6-dihydro-2H-pyran-4-yl)-5-[[3-(2-fluorophenyl)-5-methyl-4,6-dihydropyrrolo[3,4-c]pyrazol-2-yl]methyl]phenol has a molecular weight of 405.47 g/mol, XLogP of 4.19, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,6-dihydro-2H-pyran-4-yl)-5-[[3-(2-fluorophenyl)-5-methyl-4,6-dihydropyrrolo[3,4-c]pyrazol-2-yl]methyl]phenol is sourced from PubChem (CID 155591344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).