[3-(4-fluorophenyl)-1-[1-(4-fluorophenyl)ethyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-[(3S)-3-hydroxypyrrolidin-1-yl]methanone

C25H26F2N4O2 — CID 89449911

IUPAC[3-(4-fluorophenyl)-1-[1-(4-fluorophenyl)ethyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-[(3S)-3-hydroxypyrrolidin-1-yl]methanone
SMILESCC(c1ccc(F)cc1)n1nc(-c2ccc(F)cc2)c2c1CCN(C(=O)N1CC[C@H](O)C1)C2
InChIInChI=1S/C25H26F2N4O2/c1-16(17-2-6-19(26)7-3-17)31-23-11-13-30(25(33)29-12-10-21(32)14-29)15-22(23)24(28-31)18-4-8-20(27)9-5-18/h2-9,16,21,32H,10-15H2,1H3/t16?,21-/m0/s1
InChIKeyWQSMGKDEEZJLKO-MRNPHLECSA-N
MW452.51 g/mol
LogP3.98
Rot. Bonds3

About [3-(4-fluorophenyl)-1-[1-(4-fluorophenyl)ethyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-[(3S)-3-hydroxypyrrolidin-1-yl]methanone

[3-(4-fluorophenyl)-1-[1-(4-fluorophenyl)ethyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-[(3S)-3-hydroxypyrrolidin-1-yl]methanone (PubChem CID 89449911) has the molecular formula C25H26F2N4O2 and a molecular weight of 452.51 g/mol. Its IUPAC name is [3-(4-fluorophenyl)-1-[1-(4-fluorophenyl)ethyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-[(3S)-3-hydroxypyrrolidin-1-yl]methanone.

Molecular Properties

Compound Name[3-(4-fluorophenyl)-1-[1-(4-fluorophenyl)ethyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-[(3S)-3-hydroxypyrrolidin-1-yl]methanone
PubChem CID89449911
Molecular FormulaC25H26F2N4O2
Molecular Weight452.51 g/mol
Exact Mass452.20
IUPAC Name[3-(4-fluorophenyl)-1-[1-(4-fluorophenyl)ethyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-[(3S)-3-hydroxypyrrolidin-1-yl]methanone
SMILESCC(c1ccc(F)cc1)n1nc(-c2ccc(F)cc2)c2c1CCN(C(=O)N1CC[C@H](O)C1)C2
InChIInChI=1S/C25H26F2N4O2/c1-16(17-2-6-19(26)7-3-17)31-23-11-13-30(25(33)29-12-10-21(32)14-29)15-22(23)24(28-31)18-4-8-20(27)9-5-18/h2-9,16,21,32H,10-15H2,1H3/t16?,21-/m0/s1
InChIKeyWQSMGKDEEZJLKO-MRNPHLECSA-N
XLogP3.98
TPSA61.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.51
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze [3-(4-fluorophenyl)-1-[1-(4-fluorophenyl)ethyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-[(3S)-3-hydroxypyrrolidin-1-yl]methanone with MolForge

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Frequently Asked Questions

What is the IUPAC name of [3-(4-fluorophenyl)-1-[1-(4-fluorophenyl)ethyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-[(3S)-3-hydroxypyrrolidin-1-yl]methanone?
The IUPAC name of [3-(4-fluorophenyl)-1-[1-(4-fluorophenyl)ethyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-[(3S)-3-hydroxypyrrolidin-1-yl]methanone (CID 89449911) is [3-(4-fluorophenyl)-1-[1-(4-fluorophenyl)ethyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-[(3S)-3-hydroxypyrrolidin-1-yl]methanone.
What is the SMILES notation for [3-(4-fluorophenyl)-1-[1-(4-fluorophenyl)ethyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-[(3S)-3-hydroxypyrrolidin-1-yl]methanone?
The canonical SMILES for [3-(4-fluorophenyl)-1-[1-(4-fluorophenyl)ethyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-[(3S)-3-hydroxypyrrolidin-1-yl]methanone is CC(c1ccc(F)cc1)n1nc(-c2ccc(F)cc2)c2c1CCN(C(=O)N1CC[C@H](O)C1)C2.
What is the InChIKey of [3-(4-fluorophenyl)-1-[1-(4-fluorophenyl)ethyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-[(3S)-3-hydroxypyrrolidin-1-yl]methanone?
The InChIKey is WQSMGKDEEZJLKO-MRNPHLECSA-N. The full InChI is InChI=1S/C25H26F2N4O2/c1-16(17-2-6-19(26)7-3-17)31-23-11-13-30(25(33)29-12-10-21(32)14-29)15-22(23)24(28-31)18-4-8-20(27)9-5-18/h2-9,16,21,32H,10-15H2,1H3/t16?,21-/m0/s1.
What are the key properties of [3-(4-fluorophenyl)-1-[1-(4-fluorophenyl)ethyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-[(3S)-3-hydroxypyrrolidin-1-yl]methanone?
[3-(4-fluorophenyl)-1-[1-(4-fluorophenyl)ethyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-[(3S)-3-hydroxypyrrolidin-1-yl]methanone has a molecular weight of 452.51 g/mol, XLogP of 3.98, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(4-fluorophenyl)-1-[1-(4-fluorophenyl)ethyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-[(3S)-3-hydroxypyrrolidin-1-yl]methanone is sourced from PubChem (CID 89449911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).