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

C29H28ClF3N4O2 — CID 71009976

IUPAC6-chloro-2-ethyl-N-[[4-[4-[4-(trifluoromethyl)phenoxy]piperidin-1-yl]phenyl]methyl]imidazo[1,2-a]pyridine-3-carboxamide
SMILESCCc1nc2ccc(Cl)cn2c1C(=O)NCc1ccc(N2CCC(Oc3ccc(C(F)(F)F)cc3)CC2)cc1
InChIInChI=1S/C29H28ClF3N4O2/c1-2-25-27(37-18-21(30)7-12-26(37)35-25)28(38)34-17-19-3-8-22(9-4-19)36-15-13-24(14-16-36)39-23-10-5-20(6-11-23)29(31,32)33/h3-12,18,24H,2,13-17H2,1H3,(H,34,38)
InChIKeyOYOBEQMLKOJCFY-UHFFFAOYSA-N
MW557.02 g/mol
LogP6.55
Rot. Bonds7

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

6-chloro-2-ethyl-N-[[4-[4-[4-(trifluoromethyl)phenoxy]piperidin-1-yl]phenyl]methyl]imidazo[1,2-a]pyridine-3-carboxamide (PubChem CID 71009976) has the molecular formula C29H28ClF3N4O2 and a molecular weight of 557.02 g/mol. Its IUPAC name is 6-chloro-2-ethyl-N-[[4-[4-[4-(trifluoromethyl)phenoxy]piperidin-1-yl]phenyl]methyl]imidazo[1,2-a]pyridine-3-carboxamide.

Molecular Properties

Compound Name6-chloro-2-ethyl-N-[[4-[4-[4-(trifluoromethyl)phenoxy]piperidin-1-yl]phenyl]methyl]imidazo[1,2-a]pyridine-3-carboxamide
PubChem CID71009976
Molecular FormulaC29H28ClF3N4O2
Molecular Weight557.02 g/mol
Exact Mass556.19
IUPAC Name6-chloro-2-ethyl-N-[[4-[4-[4-(trifluoromethyl)phenoxy]piperidin-1-yl]phenyl]methyl]imidazo[1,2-a]pyridine-3-carboxamide
SMILESCCc1nc2ccc(Cl)cn2c1C(=O)NCc1ccc(N2CCC(Oc3ccc(C(F)(F)F)cc3)CC2)cc1
InChIInChI=1S/C29H28ClF3N4O2/c1-2-25-27(37-18-21(30)7-12-26(37)35-25)28(38)34-17-19-3-8-22(9-4-19)36-15-13-24(14-16-36)39-23-10-5-20(6-11-23)29(31,32)33/h3-12,18,24H,2,13-17H2,1H3,(H,34,38)
InChIKeyOYOBEQMLKOJCFY-UHFFFAOYSA-N
XLogP6.55
TPSA58.87 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500557.02
LogP ≤ 56.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-2-ethyl-N-[[4-[4-[4-(trifluoromethyl)phenoxy]piperidin-1-yl]phenyl]methyl]imidazo[1,2-a]pyridine-3-carboxamide?
The IUPAC name of 6-chloro-2-ethyl-N-[[4-[4-[4-(trifluoromethyl)phenoxy]piperidin-1-yl]phenyl]methyl]imidazo[1,2-a]pyridine-3-carboxamide (CID 71009976) is 6-chloro-2-ethyl-N-[[4-[4-[4-(trifluoromethyl)phenoxy]piperidin-1-yl]phenyl]methyl]imidazo[1,2-a]pyridine-3-carboxamide.
What is the SMILES notation for 6-chloro-2-ethyl-N-[[4-[4-[4-(trifluoromethyl)phenoxy]piperidin-1-yl]phenyl]methyl]imidazo[1,2-a]pyridine-3-carboxamide?
The canonical SMILES for 6-chloro-2-ethyl-N-[[4-[4-[4-(trifluoromethyl)phenoxy]piperidin-1-yl]phenyl]methyl]imidazo[1,2-a]pyridine-3-carboxamide is CCc1nc2ccc(Cl)cn2c1C(=O)NCc1ccc(N2CCC(Oc3ccc(C(F)(F)F)cc3)CC2)cc1.
What is the InChIKey of 6-chloro-2-ethyl-N-[[4-[4-[4-(trifluoromethyl)phenoxy]piperidin-1-yl]phenyl]methyl]imidazo[1,2-a]pyridine-3-carboxamide?
The InChIKey is OYOBEQMLKOJCFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H28ClF3N4O2/c1-2-25-27(37-18-21(30)7-12-26(37)35-25)28(38)34-17-19-3-8-22(9-4-19)36-15-13-24(14-16-36)39-23-10-5-20(6-11-23)29(31,32)33/h3-12,18,24H,2,13-17H2,1H3,(H,34,38).
What are the key properties of 6-chloro-2-ethyl-N-[[4-[4-[4-(trifluoromethyl)phenoxy]piperidin-1-yl]phenyl]methyl]imidazo[1,2-a]pyridine-3-carboxamide?
6-chloro-2-ethyl-N-[[4-[4-[4-(trifluoromethyl)phenoxy]piperidin-1-yl]phenyl]methyl]imidazo[1,2-a]pyridine-3-carboxamide has a molecular weight of 557.02 g/mol, XLogP of 6.55, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2-ethyl-N-[[4-[4-[4-(trifluoromethyl)phenoxy]piperidin-1-yl]phenyl]methyl]imidazo[1,2-a]pyridine-3-carboxamide is sourced from PubChem (CID 71009976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).