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

C25H26F3N5O2 — CID 121379520

IUPAC4-[2-[4-[2,5-dimethyl-7-[(2,3,6-trifluorophenyl)methoxy]pyrazolo[1,5-a]pyridin-3-yl]pyrazol-1-yl]ethyl]morpholine
SMILESCc1cc(OCc2c(F)ccc(F)c2F)n2nc(C)c(-c3cnn(CCN4CCOCC4)c3)c2c1
InChIInChI=1S/C25H26F3N5O2/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/h3-4,11-14H,5-10,15H2,1-2H3
InChIKeyVAQOSCRBLCSDQP-UHFFFAOYSA-N
MW485.51 g/mol
LogP4.14
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

4-[2-[4-[2,5-dimethyl-7-[(2,3,6-trifluorophenyl)methoxy]pyrazolo[1,5-a]pyridin-3-yl]pyrazol-1-yl]ethyl]morpholine (PubChem CID 121379520) has the molecular formula C25H26F3N5O2 and a molecular weight of 485.51 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.

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
PubChem CID121379520
Molecular FormulaC25H26F3N5O2
Molecular Weight485.51 g/mol
Exact Mass485.20
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
SMILESCc1cc(OCc2c(F)ccc(F)c2F)n2nc(C)c(-c3cnn(CCN4CCOCC4)c3)c2c1
InChIInChI=1S/C25H26F3N5O2/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/h3-4,11-14H,5-10,15H2,1-2H3
InChIKeyVAQOSCRBLCSDQP-UHFFFAOYSA-N
XLogP4.14
TPSA56.82 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500485.51
LogP ≤ 54.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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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?
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 (CID 121379520) 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.
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?
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 is Cc1cc(OCc2c(F)ccc(F)c2F)n2nc(C)c(-c3cnn(CCN4CCOCC4)c3)c2c1.
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?
The InChIKey is VAQOSCRBLCSDQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26F3N5O2/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/h3-4,11-14H,5-10,15H2,1-2H3.
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?
4-[2-[4-[2,5-dimethyl-7-[(2,3,6-trifluorophenyl)methoxy]pyrazolo[1,5-a]pyridin-3-yl]pyrazol-1-yl]ethyl]morpholine has a molecular weight of 485.51 g/mol, XLogP of 4.14, 7 rotatable bonds, 0 hydrogen bond donors, and 7 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 is sourced from PubChem (CID 121379520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).