4-[2-[4-[2,5-dimethyl-7-[(2,3,6-trifluorophenyl)methoxy]pyrazolo[1,5-a]pyridin-3-yl]pyrazol-1-yl]ethyl]morpholine;2,2,2-trifluoroacetic acid

C27H27F6N5O4 — CID 121379519

IUPAC4-[2-[4-[2,5-dimethyl-7-[(2,3,6-trifluorophenyl)methoxy]pyrazolo[1,5-a]pyridin-3-yl]pyrazol-1-yl]ethyl]morpholine;2,2,2-trifluoroacetic acid
SMILESCc1cc(OCc2c(F)ccc(F)c2F)n2nc(C)c(-c3cnn(CCN4CCOCC4)c3)c2c1.O=C(O)C(F)(F)F
InChIInChI=1S/C25H26F3N5O2.C2HF3O2/c1-16-11-22-24(18-13-29-32(14-18)6-5-31-7-9-34-10-8-31)17(2)30-33(22)23(12-16)35-15-19-20(26)3-4-21(27)25(19)28;3-2(4,5)1(6)7/h3-4,11-14H,5-10,15H2,1-2H3;(H,6,7)
InChIKeyOMIMPBRXUUZFEU-UHFFFAOYSA-N
MW599.53 g/mol
LogP4.78
Rot. Bonds7

About 4-[2-[4-[2,5-dimethyl-7-[(2,3,6-trifluorophenyl)methoxy]pyrazolo[1,5-a]pyridin-3-yl]pyrazol-1-yl]ethyl]morpholine;2,2,2-trifluoroacetic acid

4-[2-[4-[2,5-dimethyl-7-[(2,3,6-trifluorophenyl)methoxy]pyrazolo[1,5-a]pyridin-3-yl]pyrazol-1-yl]ethyl]morpholine;2,2,2-trifluoroacetic acid (PubChem CID 121379519) has the molecular formula C27H27F6N5O4 and a molecular weight of 599.53 g/mol. Its IUPAC name is 4-[2-[4-[2,5-dimethyl-7-[(2,3,6-trifluorophenyl)methoxy]pyrazolo[1,5-a]pyridin-3-yl]pyrazol-1-yl]ethyl]morpholine;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound Name4-[2-[4-[2,5-dimethyl-7-[(2,3,6-trifluorophenyl)methoxy]pyrazolo[1,5-a]pyridin-3-yl]pyrazol-1-yl]ethyl]morpholine;2,2,2-trifluoroacetic acid
PubChem CID121379519
Molecular FormulaC27H27F6N5O4
Molecular Weight599.53 g/mol
Exact Mass599.20
IUPAC Name4-[2-[4-[2,5-dimethyl-7-[(2,3,6-trifluorophenyl)methoxy]pyrazolo[1,5-a]pyridin-3-yl]pyrazol-1-yl]ethyl]morpholine;2,2,2-trifluoroacetic acid
SMILESCc1cc(OCc2c(F)ccc(F)c2F)n2nc(C)c(-c3cnn(CCN4CCOCC4)c3)c2c1.O=C(O)C(F)(F)F
InChIInChI=1S/C25H26F3N5O2.C2HF3O2/c1-16-11-22-24(18-13-29-32(14-18)6-5-31-7-9-34-10-8-31)17(2)30-33(22)23(12-16)35-15-19-20(26)3-4-21(27)25(19)28;3-2(4,5)1(6)7/h3-4,11-14H,5-10,15H2,1-2H3;(H,6,7)
InChIKeyOMIMPBRXUUZFEU-UHFFFAOYSA-N
XLogP4.78
TPSA94.12 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms42
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500599.53
LogP ≤ 54.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

Analyze 4-[2-[4-[2,5-dimethyl-7-[(2,3,6-trifluorophenyl)methoxy]pyrazolo[1,5-a]pyridin-3-yl]pyrazol-1-yl]ethyl]morpholine;2,2,2-trifluoroacetic acid with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-[2-[4-[2,5-dimethyl-7-[(2,3,6-trifluorophenyl)methoxy]pyrazolo[1,5-a]pyridin-3-yl]pyrazol-1-yl]ethyl]morpholine;2,2,2-trifluoroacetic acid?
The IUPAC name of 4-[2-[4-[2,5-dimethyl-7-[(2,3,6-trifluorophenyl)methoxy]pyrazolo[1,5-a]pyridin-3-yl]pyrazol-1-yl]ethyl]morpholine;2,2,2-trifluoroacetic acid (CID 121379519) is 4-[2-[4-[2,5-dimethyl-7-[(2,3,6-trifluorophenyl)methoxy]pyrazolo[1,5-a]pyridin-3-yl]pyrazol-1-yl]ethyl]morpholine;2,2,2-trifluoroacetic acid.
What is the SMILES notation for 4-[2-[4-[2,5-dimethyl-7-[(2,3,6-trifluorophenyl)methoxy]pyrazolo[1,5-a]pyridin-3-yl]pyrazol-1-yl]ethyl]morpholine;2,2,2-trifluoroacetic acid?
The canonical SMILES for 4-[2-[4-[2,5-dimethyl-7-[(2,3,6-trifluorophenyl)methoxy]pyrazolo[1,5-a]pyridin-3-yl]pyrazol-1-yl]ethyl]morpholine;2,2,2-trifluoroacetic acid is Cc1cc(OCc2c(F)ccc(F)c2F)n2nc(C)c(-c3cnn(CCN4CCOCC4)c3)c2c1.O=C(O)C(F)(F)F.
What is the InChIKey of 4-[2-[4-[2,5-dimethyl-7-[(2,3,6-trifluorophenyl)methoxy]pyrazolo[1,5-a]pyridin-3-yl]pyrazol-1-yl]ethyl]morpholine;2,2,2-trifluoroacetic acid?
The InChIKey is OMIMPBRXUUZFEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26F3N5O2.C2HF3O2/c1-16-11-22-24(18-13-29-32(14-18)6-5-31-7-9-34-10-8-31)17(2)30-33(22)23(12-16)35-15-19-20(26)3-4-21(27)25(19)28;3-2(4,5)1(6)7/h3-4,11-14H,5-10,15H2,1-2H3;(H,6,7).
What are the key properties of 4-[2-[4-[2,5-dimethyl-7-[(2,3,6-trifluorophenyl)methoxy]pyrazolo[1,5-a]pyridin-3-yl]pyrazol-1-yl]ethyl]morpholine;2,2,2-trifluoroacetic acid?
4-[2-[4-[2,5-dimethyl-7-[(2,3,6-trifluorophenyl)methoxy]pyrazolo[1,5-a]pyridin-3-yl]pyrazol-1-yl]ethyl]morpholine;2,2,2-trifluoroacetic acid has a molecular weight of 599.53 g/mol, XLogP of 4.78, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[4-[2,5-dimethyl-7-[(2,3,6-trifluorophenyl)methoxy]pyrazolo[1,5-a]pyridin-3-yl]pyrazol-1-yl]ethyl]morpholine;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 121379519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).