3-(furan-2-yl)-5-(1-phenylpyrrolidin-3-yl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine;bis(2,2,2-trifluoroacetic acid)

C24H24F6N4O5 — CID 154888690

IUPAC3-(furan-2-yl)-5-(1-phenylpyrrolidin-3-yl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine;bis(2,2,2-trifluoroacetic acid)
SMILESO=C(O)C(F)(F)F.O=C(O)C(F)(F)F.c1ccc(N2CCC(N3CCc4[nH]nc(-c5ccco5)c4C3)C2)cc1
InChIInChI=1S/C20H22N4O.2C2HF3O2/c1-2-5-15(6-3-1)23-10-8-16(13-23)24-11-9-18-17(14-24)20(22-21-18)19-7-4-12-25-19;2*3-2(4,5)1(6)7/h1-7,12,16H,8-11,13-14H2,(H,21,22);2*(H,6,7)
InChIKeyZQNZKSQZKRGOSJ-UHFFFAOYSA-N
MW562.47 g/mol
LogP4.57
Rot. Bonds3

About 3-(furan-2-yl)-5-(1-phenylpyrrolidin-3-yl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine;bis(2,2,2-trifluoroacetic acid)

3-(furan-2-yl)-5-(1-phenylpyrrolidin-3-yl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine;bis(2,2,2-trifluoroacetic acid) (PubChem CID 154888690) has the molecular formula C24H24F6N4O5 and a molecular weight of 562.47 g/mol. Its IUPAC name is 3-(furan-2-yl)-5-(1-phenylpyrrolidin-3-yl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine;bis(2,2,2-trifluoroacetic acid).

Molecular Properties

Compound Name3-(furan-2-yl)-5-(1-phenylpyrrolidin-3-yl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine;bis(2,2,2-trifluoroacetic acid)
PubChem CID154888690
Molecular FormulaC24H24F6N4O5
Molecular Weight562.47 g/mol
Exact Mass562.17
IUPAC Name3-(furan-2-yl)-5-(1-phenylpyrrolidin-3-yl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine;bis(2,2,2-trifluoroacetic acid)
SMILESO=C(O)C(F)(F)F.O=C(O)C(F)(F)F.c1ccc(N2CCC(N3CCc4[nH]nc(-c5ccco5)c4C3)C2)cc1
InChIInChI=1S/C20H22N4O.2C2HF3O2/c1-2-5-15(6-3-1)23-10-8-16(13-23)24-11-9-18-17(14-24)20(22-21-18)19-7-4-12-25-19;2*3-2(4,5)1(6)7/h1-7,12,16H,8-11,13-14H2,(H,21,22);2*(H,6,7)
InChIKeyZQNZKSQZKRGOSJ-UHFFFAOYSA-N
XLogP4.57
TPSA122.90 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms39
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500562.47
LogP ≤ 54.57
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

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ethyl 4-(4-(3-fluorophenyl)-3-(2-furyl)-6-oxo-4,6-dihydropyrrolo[3,4-c]pyrazol-5(1H)-yl)benzoate
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1-(4-fluorophenyl)-4-{[3-(2-furyl)-1H-pyrazol-5-yl]carbonyl}piperazine
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[5-(furan-2-yl)-1H-pyrazol-3-yl]-[(3S)-3-[5-(trifluoromethyl)benzotriazol-1-yl]piperidin-1-yl]methanone
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CID 91628896
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CID 69182437

Frequently Asked Questions

What is the IUPAC name of 3-(furan-2-yl)-5-(1-phenylpyrrolidin-3-yl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine;bis(2,2,2-trifluoroacetic acid)?
The IUPAC name of 3-(furan-2-yl)-5-(1-phenylpyrrolidin-3-yl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine;bis(2,2,2-trifluoroacetic acid) (CID 154888690) is 3-(furan-2-yl)-5-(1-phenylpyrrolidin-3-yl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine;bis(2,2,2-trifluoroacetic acid).
What is the SMILES notation for 3-(furan-2-yl)-5-(1-phenylpyrrolidin-3-yl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine;bis(2,2,2-trifluoroacetic acid)?
The canonical SMILES for 3-(furan-2-yl)-5-(1-phenylpyrrolidin-3-yl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine;bis(2,2,2-trifluoroacetic acid) is O=C(O)C(F)(F)F.O=C(O)C(F)(F)F.c1ccc(N2CCC(N3CCc4[nH]nc(-c5ccco5)c4C3)C2)cc1.
What is the InChIKey of 3-(furan-2-yl)-5-(1-phenylpyrrolidin-3-yl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine;bis(2,2,2-trifluoroacetic acid)?
The InChIKey is ZQNZKSQZKRGOSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4O.2C2HF3O2/c1-2-5-15(6-3-1)23-10-8-16(13-23)24-11-9-18-17(14-24)20(22-21-18)19-7-4-12-25-19;2*3-2(4,5)1(6)7/h1-7,12,16H,8-11,13-14H2,(H,21,22);2*(H,6,7).
What are the key properties of 3-(furan-2-yl)-5-(1-phenylpyrrolidin-3-yl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine;bis(2,2,2-trifluoroacetic acid)?
3-(furan-2-yl)-5-(1-phenylpyrrolidin-3-yl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine;bis(2,2,2-trifluoroacetic acid) has a molecular weight of 562.47 g/mol, XLogP of 4.57, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(furan-2-yl)-5-(1-phenylpyrrolidin-3-yl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine;bis(2,2,2-trifluoroacetic acid) is sourced from PubChem (CID 154888690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).