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

C29H28ClF3N4O2 — CID 166060364

IUPAC2-chloro-N-ethyl-N-[[4-[4-[4-(trifluoromethoxy)phenyl]piperidin-1-yl]phenyl]methyl]imidazo[1,2-a]pyridine-3-carboxamide
SMILESCCN(Cc1ccc(N2CCC(c3ccc(OC(F)(F)F)cc3)CC2)cc1)C(=O)c1c(Cl)nc2ccccn12
InChIInChI=1S/C29H28ClF3N4O2/c1-2-35(28(38)26-27(30)34-25-5-3-4-16-37(25)26)19-20-6-10-23(11-7-20)36-17-14-22(15-18-36)21-8-12-24(13-9-21)39-29(31,32)33/h3-13,16,22H,2,14-15,17-19H2,1H3
InChIKeySFCLJBHECHSPPX-UHFFFAOYSA-N
MW557.02 g/mol
LogP6.93
Rot. Bonds7

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

2-chloro-N-ethyl-N-[[4-[4-[4-(trifluoromethoxy)phenyl]piperidin-1-yl]phenyl]methyl]imidazo[1,2-a]pyridine-3-carboxamide (PubChem CID 166060364) has the molecular formula C29H28ClF3N4O2 and a molecular weight of 557.02 g/mol. Its IUPAC name is 2-chloro-N-ethyl-N-[[4-[4-[4-(trifluoromethoxy)phenyl]piperidin-1-yl]phenyl]methyl]imidazo[1,2-a]pyridine-3-carboxamide.

Molecular Properties

Compound Name2-chloro-N-ethyl-N-[[4-[4-[4-(trifluoromethoxy)phenyl]piperidin-1-yl]phenyl]methyl]imidazo[1,2-a]pyridine-3-carboxamide
PubChem CID166060364
Molecular FormulaC29H28ClF3N4O2
Molecular Weight557.02 g/mol
Exact Mass556.19
IUPAC Name2-chloro-N-ethyl-N-[[4-[4-[4-(trifluoromethoxy)phenyl]piperidin-1-yl]phenyl]methyl]imidazo[1,2-a]pyridine-3-carboxamide
SMILESCCN(Cc1ccc(N2CCC(c3ccc(OC(F)(F)F)cc3)CC2)cc1)C(=O)c1c(Cl)nc2ccccn12
InChIInChI=1S/C29H28ClF3N4O2/c1-2-35(28(38)26-27(30)34-25-5-3-4-16-37(25)26)19-20-6-10-23(11-7-20)36-17-14-22(15-18-36)21-8-12-24(13-9-21)39-29(31,32)33/h3-13,16,22H,2,14-15,17-19H2,1H3
InChIKeySFCLJBHECHSPPX-UHFFFAOYSA-N
XLogP6.93
TPSA50.08 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500557.02
LogP ≤ 56.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_D(198)', 'substructure': 'N/A'}, {'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-ethyl-N-[[4-[4-[4-(trifluoromethoxy)phenyl]piperidin-1-yl]phenyl]methyl]imidazo[1,2-a]pyridine-3-carboxamide?
The IUPAC name of 2-chloro-N-ethyl-N-[[4-[4-[4-(trifluoromethoxy)phenyl]piperidin-1-yl]phenyl]methyl]imidazo[1,2-a]pyridine-3-carboxamide (CID 166060364) is 2-chloro-N-ethyl-N-[[4-[4-[4-(trifluoromethoxy)phenyl]piperidin-1-yl]phenyl]methyl]imidazo[1,2-a]pyridine-3-carboxamide.
What is the SMILES notation for 2-chloro-N-ethyl-N-[[4-[4-[4-(trifluoromethoxy)phenyl]piperidin-1-yl]phenyl]methyl]imidazo[1,2-a]pyridine-3-carboxamide?
The canonical SMILES for 2-chloro-N-ethyl-N-[[4-[4-[4-(trifluoromethoxy)phenyl]piperidin-1-yl]phenyl]methyl]imidazo[1,2-a]pyridine-3-carboxamide is CCN(Cc1ccc(N2CCC(c3ccc(OC(F)(F)F)cc3)CC2)cc1)C(=O)c1c(Cl)nc2ccccn12.
What is the InChIKey of 2-chloro-N-ethyl-N-[[4-[4-[4-(trifluoromethoxy)phenyl]piperidin-1-yl]phenyl]methyl]imidazo[1,2-a]pyridine-3-carboxamide?
The InChIKey is SFCLJBHECHSPPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H28ClF3N4O2/c1-2-35(28(38)26-27(30)34-25-5-3-4-16-37(25)26)19-20-6-10-23(11-7-20)36-17-14-22(15-18-36)21-8-12-24(13-9-21)39-29(31,32)33/h3-13,16,22H,2,14-15,17-19H2,1H3.
What are the key properties of 2-chloro-N-ethyl-N-[[4-[4-[4-(trifluoromethoxy)phenyl]piperidin-1-yl]phenyl]methyl]imidazo[1,2-a]pyridine-3-carboxamide?
2-chloro-N-ethyl-N-[[4-[4-[4-(trifluoromethoxy)phenyl]piperidin-1-yl]phenyl]methyl]imidazo[1,2-a]pyridine-3-carboxamide has a molecular weight of 557.02 g/mol, XLogP of 6.93, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-ethyl-N-[[4-[4-[4-(trifluoromethoxy)phenyl]piperidin-1-yl]phenyl]methyl]imidazo[1,2-a]pyridine-3-carboxamide is sourced from PubChem (CID 166060364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).