6-methoxy-2-methyl-N-[2-[4-[4-(trifluoromethyl)piperidin-1-yl]phenoxy]ethyl]imidazo[1,2-a]pyridine-3-carboxamide

C24H27F3N4O3 — CID 155528693

IUPAC6-methoxy-2-methyl-N-[2-[4-[4-(trifluoromethyl)piperidin-1-yl]phenoxy]ethyl]imidazo[1,2-a]pyridine-3-carboxamide
SMILESCOc1ccc2nc(C)c(C(=O)NCCOc3ccc(N4CCC(C(F)(F)F)CC4)cc3)n2c1
InChIInChI=1S/C24H27F3N4O3/c1-16-22(31-15-20(33-2)7-8-21(31)29-16)23(32)28-11-14-34-19-5-3-18(4-6-19)30-12-9-17(10-13-30)24(25,26)27/h3-8,15,17H,9-14H2,1-2H3,(H,28,32)
InChIKeyHRQJAEGFFBOBCM-UHFFFAOYSA-N
MW476.50 g/mol
LogP4.24
Rot. Bonds7

About 6-methoxy-2-methyl-N-[2-[4-[4-(trifluoromethyl)piperidin-1-yl]phenoxy]ethyl]imidazo[1,2-a]pyridine-3-carboxamide

6-methoxy-2-methyl-N-[2-[4-[4-(trifluoromethyl)piperidin-1-yl]phenoxy]ethyl]imidazo[1,2-a]pyridine-3-carboxamide (PubChem CID 155528693) has the molecular formula C24H27F3N4O3 and a molecular weight of 476.50 g/mol. Its IUPAC name is 6-methoxy-2-methyl-N-[2-[4-[4-(trifluoromethyl)piperidin-1-yl]phenoxy]ethyl]imidazo[1,2-a]pyridine-3-carboxamide.

Molecular Properties

Compound Name6-methoxy-2-methyl-N-[2-[4-[4-(trifluoromethyl)piperidin-1-yl]phenoxy]ethyl]imidazo[1,2-a]pyridine-3-carboxamide
PubChem CID155528693
Molecular FormulaC24H27F3N4O3
Molecular Weight476.50 g/mol
Exact Mass476.20
IUPAC Name6-methoxy-2-methyl-N-[2-[4-[4-(trifluoromethyl)piperidin-1-yl]phenoxy]ethyl]imidazo[1,2-a]pyridine-3-carboxamide
SMILESCOc1ccc2nc(C)c(C(=O)NCCOc3ccc(N4CCC(C(F)(F)F)CC4)cc3)n2c1
InChIInChI=1S/C24H27F3N4O3/c1-16-22(31-15-20(33-2)7-8-21(31)29-16)23(32)28-11-14-34-19-5-3-18(4-6-19)30-12-9-17(10-13-30)24(25,26)27/h3-8,15,17H,9-14H2,1-2H3,(H,28,32)
InChIKeyHRQJAEGFFBOBCM-UHFFFAOYSA-N
XLogP4.24
TPSA68.10 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500476.50
LogP ≤ 54.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-methoxy-2-methyl-N-[2-[4-[4-(trifluoromethyl)piperidin-1-yl]phenoxy]ethyl]imidazo[1,2-a]pyridine-3-carboxamide?
The IUPAC name of 6-methoxy-2-methyl-N-[2-[4-[4-(trifluoromethyl)piperidin-1-yl]phenoxy]ethyl]imidazo[1,2-a]pyridine-3-carboxamide (CID 155528693) is 6-methoxy-2-methyl-N-[2-[4-[4-(trifluoromethyl)piperidin-1-yl]phenoxy]ethyl]imidazo[1,2-a]pyridine-3-carboxamide.
What is the SMILES notation for 6-methoxy-2-methyl-N-[2-[4-[4-(trifluoromethyl)piperidin-1-yl]phenoxy]ethyl]imidazo[1,2-a]pyridine-3-carboxamide?
The canonical SMILES for 6-methoxy-2-methyl-N-[2-[4-[4-(trifluoromethyl)piperidin-1-yl]phenoxy]ethyl]imidazo[1,2-a]pyridine-3-carboxamide is COc1ccc2nc(C)c(C(=O)NCCOc3ccc(N4CCC(C(F)(F)F)CC4)cc3)n2c1.
What is the InChIKey of 6-methoxy-2-methyl-N-[2-[4-[4-(trifluoromethyl)piperidin-1-yl]phenoxy]ethyl]imidazo[1,2-a]pyridine-3-carboxamide?
The InChIKey is HRQJAEGFFBOBCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27F3N4O3/c1-16-22(31-15-20(33-2)7-8-21(31)29-16)23(32)28-11-14-34-19-5-3-18(4-6-19)30-12-9-17(10-13-30)24(25,26)27/h3-8,15,17H,9-14H2,1-2H3,(H,28,32).
What are the key properties of 6-methoxy-2-methyl-N-[2-[4-[4-(trifluoromethyl)piperidin-1-yl]phenoxy]ethyl]imidazo[1,2-a]pyridine-3-carboxamide?
6-methoxy-2-methyl-N-[2-[4-[4-(trifluoromethyl)piperidin-1-yl]phenoxy]ethyl]imidazo[1,2-a]pyridine-3-carboxamide has a molecular weight of 476.50 g/mol, XLogP of 4.24, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-2-methyl-N-[2-[4-[4-(trifluoromethyl)piperidin-1-yl]phenoxy]ethyl]imidazo[1,2-a]pyridine-3-carboxamide is sourced from PubChem (CID 155528693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).