5-methoxy-N-[[2-methoxy-4-[4-(trifluoromethoxy)phenyl]phenyl]methyl]-2-methylpyrazolo[1,5-a]pyridine-3-carboxamide

C25H22F3N3O4 — CID 155537123

IUPAC5-methoxy-N-[[2-methoxy-4-[4-(trifluoromethoxy)phenyl]phenyl]methyl]-2-methylpyrazolo[1,5-a]pyridine-3-carboxamide
SMILESCOc1ccn2nc(C)c(C(=O)NCc3ccc(-c4ccc(OC(F)(F)F)cc4)cc3OC)c2c1
InChIInChI=1S/C25H22F3N3O4/c1-15-23(21-13-20(33-2)10-11-31(21)30-15)24(32)29-14-18-5-4-17(12-22(18)34-3)16-6-8-19(9-7-16)35-25(26,27)28/h4-13H,14H2,1-3H3,(H,29,32)
InChIKeyVECQNCGQMFPKDA-UHFFFAOYSA-N
MW485.46 g/mol
LogP5.16
Rot. Bonds7

About 5-methoxy-N-[[2-methoxy-4-[4-(trifluoromethoxy)phenyl]phenyl]methyl]-2-methylpyrazolo[1,5-a]pyridine-3-carboxamide

5-methoxy-N-[[2-methoxy-4-[4-(trifluoromethoxy)phenyl]phenyl]methyl]-2-methylpyrazolo[1,5-a]pyridine-3-carboxamide (PubChem CID 155537123) has the molecular formula C25H22F3N3O4 and a molecular weight of 485.46 g/mol. Its IUPAC name is 5-methoxy-N-[[2-methoxy-4-[4-(trifluoromethoxy)phenyl]phenyl]methyl]-2-methylpyrazolo[1,5-a]pyridine-3-carboxamide.

Molecular Properties

Compound Name5-methoxy-N-[[2-methoxy-4-[4-(trifluoromethoxy)phenyl]phenyl]methyl]-2-methylpyrazolo[1,5-a]pyridine-3-carboxamide
PubChem CID155537123
Molecular FormulaC25H22F3N3O4
Molecular Weight485.46 g/mol
Exact Mass485.16
IUPAC Name5-methoxy-N-[[2-methoxy-4-[4-(trifluoromethoxy)phenyl]phenyl]methyl]-2-methylpyrazolo[1,5-a]pyridine-3-carboxamide
SMILESCOc1ccn2nc(C)c(C(=O)NCc3ccc(-c4ccc(OC(F)(F)F)cc4)cc3OC)c2c1
InChIInChI=1S/C25H22F3N3O4/c1-15-23(21-13-20(33-2)10-11-31(21)30-15)24(32)29-14-18-5-4-17(12-22(18)34-3)16-6-8-19(9-7-16)35-25(26,27)28/h4-13H,14H2,1-3H3,(H,29,32)
InChIKeyVECQNCGQMFPKDA-UHFFFAOYSA-N
XLogP5.16
TPSA74.09 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500485.46
LogP ≤ 55.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-methoxy-N-[[2-methoxy-4-[4-(trifluoromethoxy)phenyl]phenyl]methyl]-2-methylpyrazolo[1,5-a]pyridine-3-carboxamide?
The IUPAC name of 5-methoxy-N-[[2-methoxy-4-[4-(trifluoromethoxy)phenyl]phenyl]methyl]-2-methylpyrazolo[1,5-a]pyridine-3-carboxamide (CID 155537123) is 5-methoxy-N-[[2-methoxy-4-[4-(trifluoromethoxy)phenyl]phenyl]methyl]-2-methylpyrazolo[1,5-a]pyridine-3-carboxamide.
What is the SMILES notation for 5-methoxy-N-[[2-methoxy-4-[4-(trifluoromethoxy)phenyl]phenyl]methyl]-2-methylpyrazolo[1,5-a]pyridine-3-carboxamide?
The canonical SMILES for 5-methoxy-N-[[2-methoxy-4-[4-(trifluoromethoxy)phenyl]phenyl]methyl]-2-methylpyrazolo[1,5-a]pyridine-3-carboxamide is COc1ccn2nc(C)c(C(=O)NCc3ccc(-c4ccc(OC(F)(F)F)cc4)cc3OC)c2c1.
What is the InChIKey of 5-methoxy-N-[[2-methoxy-4-[4-(trifluoromethoxy)phenyl]phenyl]methyl]-2-methylpyrazolo[1,5-a]pyridine-3-carboxamide?
The InChIKey is VECQNCGQMFPKDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22F3N3O4/c1-15-23(21-13-20(33-2)10-11-31(21)30-15)24(32)29-14-18-5-4-17(12-22(18)34-3)16-6-8-19(9-7-16)35-25(26,27)28/h4-13H,14H2,1-3H3,(H,29,32).
What are the key properties of 5-methoxy-N-[[2-methoxy-4-[4-(trifluoromethoxy)phenyl]phenyl]methyl]-2-methylpyrazolo[1,5-a]pyridine-3-carboxamide?
5-methoxy-N-[[2-methoxy-4-[4-(trifluoromethoxy)phenyl]phenyl]methyl]-2-methylpyrazolo[1,5-a]pyridine-3-carboxamide has a molecular weight of 485.46 g/mol, XLogP of 5.16, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-N-[[2-methoxy-4-[4-(trifluoromethoxy)phenyl]phenyl]methyl]-2-methylpyrazolo[1,5-a]pyridine-3-carboxamide is sourced from PubChem (CID 155537123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).