7-(furan-2-yl)-4-(2-pyridin-2-yl-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-3-yl)quinoline;2,2,2-trifluoroacetic acid

C26H19F3N4O3 — CID 10005865

IUPAC7-(furan-2-yl)-4-(2-pyridin-2-yl-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-3-yl)quinoline;2,2,2-trifluoroacetic acid
SMILESO=C(O)C(F)(F)F.c1ccc(-c2nn3c(c2-c2ccnc4cc(-c5ccco5)ccc24)CCC3)nc1
InChIInChI=1S/C24H18N4O.C2HF3O2/c1-2-11-25-19(5-1)24-23(21-6-3-13-28(21)27-24)18-10-12-26-20-15-16(8-9-17(18)20)22-7-4-14-29-22;3-2(4,5)1(6)7/h1-2,4-5,7-12,14-15H,3,6,13H2;(H,6,7)
InChIKeyJBBFSGGMISLAFY-UHFFFAOYSA-N
MW492.46 g/mol
LogP6.00
Rot. Bonds3

About 7-(furan-2-yl)-4-(2-pyridin-2-yl-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-3-yl)quinoline;2,2,2-trifluoroacetic acid

7-(furan-2-yl)-4-(2-pyridin-2-yl-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-3-yl)quinoline;2,2,2-trifluoroacetic acid (PubChem CID 10005865) has the molecular formula C26H19F3N4O3 and a molecular weight of 492.46 g/mol. Its IUPAC name is 7-(furan-2-yl)-4-(2-pyridin-2-yl-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-3-yl)quinoline;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound Name7-(furan-2-yl)-4-(2-pyridin-2-yl-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-3-yl)quinoline;2,2,2-trifluoroacetic acid
PubChem CID10005865
Molecular FormulaC26H19F3N4O3
Molecular Weight492.46 g/mol
Exact Mass492.14
IUPAC Name7-(furan-2-yl)-4-(2-pyridin-2-yl-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-3-yl)quinoline;2,2,2-trifluoroacetic acid
SMILESO=C(O)C(F)(F)F.c1ccc(-c2nn3c(c2-c2ccnc4cc(-c5ccco5)ccc24)CCC3)nc1
InChIInChI=1S/C24H18N4O.C2HF3O2/c1-2-11-25-19(5-1)24-23(21-6-3-13-28(21)27-24)18-10-12-26-20-15-16(8-9-17(18)20)22-7-4-14-29-22;3-2(4,5)1(6)7/h1-2,4-5,7-12,14-15H,3,6,13H2;(H,6,7)
InChIKeyJBBFSGGMISLAFY-UHFFFAOYSA-N
XLogP6.00
TPSA94.04 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500492.46
LogP ≤ 56.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 7-(furan-2-yl)-4-(2-pyridin-2-yl-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-3-yl)quinoline;2,2,2-trifluoroacetic acid with MolForge

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Frequently Asked Questions

What is the IUPAC name of 7-(furan-2-yl)-4-(2-pyridin-2-yl-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-3-yl)quinoline;2,2,2-trifluoroacetic acid?
The IUPAC name of 7-(furan-2-yl)-4-(2-pyridin-2-yl-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-3-yl)quinoline;2,2,2-trifluoroacetic acid (CID 10005865) is 7-(furan-2-yl)-4-(2-pyridin-2-yl-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-3-yl)quinoline;2,2,2-trifluoroacetic acid.
What is the SMILES notation for 7-(furan-2-yl)-4-(2-pyridin-2-yl-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-3-yl)quinoline;2,2,2-trifluoroacetic acid?
The canonical SMILES for 7-(furan-2-yl)-4-(2-pyridin-2-yl-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-3-yl)quinoline;2,2,2-trifluoroacetic acid is O=C(O)C(F)(F)F.c1ccc(-c2nn3c(c2-c2ccnc4cc(-c5ccco5)ccc24)CCC3)nc1.
What is the InChIKey of 7-(furan-2-yl)-4-(2-pyridin-2-yl-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-3-yl)quinoline;2,2,2-trifluoroacetic acid?
The InChIKey is JBBFSGGMISLAFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H18N4O.C2HF3O2/c1-2-11-25-19(5-1)24-23(21-6-3-13-28(21)27-24)18-10-12-26-20-15-16(8-9-17(18)20)22-7-4-14-29-22;3-2(4,5)1(6)7/h1-2,4-5,7-12,14-15H,3,6,13H2;(H,6,7).
What are the key properties of 7-(furan-2-yl)-4-(2-pyridin-2-yl-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-3-yl)quinoline;2,2,2-trifluoroacetic acid?
7-(furan-2-yl)-4-(2-pyridin-2-yl-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-3-yl)quinoline;2,2,2-trifluoroacetic acid has a molecular weight of 492.46 g/mol, XLogP of 6.00, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(furan-2-yl)-4-(2-pyridin-2-yl-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-3-yl)quinoline;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 10005865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).