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

C29H30F3N5O2 — CID 90480397

IUPAC2-ethyl-6-methoxy-N-[[4-[4-[4-(trifluoromethyl)phenyl]piperazin-1-yl]phenyl]methyl]imidazo[1,2-a]pyridine-3-carboxamide
SMILESCCc1nc2ccc(OC)cn2c1C(=O)NCc1ccc(N2CCN(c3ccc(C(F)(F)F)cc3)CC2)cc1
InChIInChI=1S/C29H30F3N5O2/c1-3-25-27(37-19-24(39-2)12-13-26(37)34-25)28(38)33-18-20-4-8-22(9-5-20)35-14-16-36(17-15-35)23-10-6-21(7-11-23)29(30,31)32/h4-13,19H,3,14-18H2,1-2H3,(H,33,38)
InChIKeyZYITZXKXHXPOLI-UHFFFAOYSA-N
MW537.59 g/mol
LogP5.18
Rot. Bonds7

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

2-ethyl-6-methoxy-N-[[4-[4-[4-(trifluoromethyl)phenyl]piperazin-1-yl]phenyl]methyl]imidazo[1,2-a]pyridine-3-carboxamide (PubChem CID 90480397) has the molecular formula C29H30F3N5O2 and a molecular weight of 537.59 g/mol. Its IUPAC name is 2-ethyl-6-methoxy-N-[[4-[4-[4-(trifluoromethyl)phenyl]piperazin-1-yl]phenyl]methyl]imidazo[1,2-a]pyridine-3-carboxamide.

Molecular Properties

Compound Name2-ethyl-6-methoxy-N-[[4-[4-[4-(trifluoromethyl)phenyl]piperazin-1-yl]phenyl]methyl]imidazo[1,2-a]pyridine-3-carboxamide
PubChem CID90480397
Molecular FormulaC29H30F3N5O2
Molecular Weight537.59 g/mol
Exact Mass537.24
IUPAC Name2-ethyl-6-methoxy-N-[[4-[4-[4-(trifluoromethyl)phenyl]piperazin-1-yl]phenyl]methyl]imidazo[1,2-a]pyridine-3-carboxamide
SMILESCCc1nc2ccc(OC)cn2c1C(=O)NCc1ccc(N2CCN(c3ccc(C(F)(F)F)cc3)CC2)cc1
InChIInChI=1S/C29H30F3N5O2/c1-3-25-27(37-19-24(39-2)12-13-26(37)34-25)28(38)33-18-20-4-8-22(9-5-20)35-14-16-36(17-15-35)23-10-6-21(7-11-23)29(30,31)32/h4-13,19H,3,14-18H2,1-2H3,(H,33,38)
InChIKeyZYITZXKXHXPOLI-UHFFFAOYSA-N
XLogP5.18
TPSA62.11 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500537.59
LogP ≤ 55.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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 2-ethyl-6-methoxy-N-[[4-[4-[4-(trifluoromethyl)phenyl]piperazin-1-yl]phenyl]methyl]imidazo[1,2-a]pyridine-3-carboxamide?
The IUPAC name of 2-ethyl-6-methoxy-N-[[4-[4-[4-(trifluoromethyl)phenyl]piperazin-1-yl]phenyl]methyl]imidazo[1,2-a]pyridine-3-carboxamide (CID 90480397) is 2-ethyl-6-methoxy-N-[[4-[4-[4-(trifluoromethyl)phenyl]piperazin-1-yl]phenyl]methyl]imidazo[1,2-a]pyridine-3-carboxamide.
What is the SMILES notation for 2-ethyl-6-methoxy-N-[[4-[4-[4-(trifluoromethyl)phenyl]piperazin-1-yl]phenyl]methyl]imidazo[1,2-a]pyridine-3-carboxamide?
The canonical SMILES for 2-ethyl-6-methoxy-N-[[4-[4-[4-(trifluoromethyl)phenyl]piperazin-1-yl]phenyl]methyl]imidazo[1,2-a]pyridine-3-carboxamide is CCc1nc2ccc(OC)cn2c1C(=O)NCc1ccc(N2CCN(c3ccc(C(F)(F)F)cc3)CC2)cc1.
What is the InChIKey of 2-ethyl-6-methoxy-N-[[4-[4-[4-(trifluoromethyl)phenyl]piperazin-1-yl]phenyl]methyl]imidazo[1,2-a]pyridine-3-carboxamide?
The InChIKey is ZYITZXKXHXPOLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H30F3N5O2/c1-3-25-27(37-19-24(39-2)12-13-26(37)34-25)28(38)33-18-20-4-8-22(9-5-20)35-14-16-36(17-15-35)23-10-6-21(7-11-23)29(30,31)32/h4-13,19H,3,14-18H2,1-2H3,(H,33,38).
What are the key properties of 2-ethyl-6-methoxy-N-[[4-[4-[4-(trifluoromethyl)phenyl]piperazin-1-yl]phenyl]methyl]imidazo[1,2-a]pyridine-3-carboxamide?
2-ethyl-6-methoxy-N-[[4-[4-[4-(trifluoromethyl)phenyl]piperazin-1-yl]phenyl]methyl]imidazo[1,2-a]pyridine-3-carboxamide has a molecular weight of 537.59 g/mol, XLogP of 5.18, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-6-methoxy-N-[[4-[4-[4-(trifluoromethyl)phenyl]piperazin-1-yl]phenyl]methyl]imidazo[1,2-a]pyridine-3-carboxamide is sourced from PubChem (CID 90480397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).