2-ethyl-7-fluoro-N-[[3-fluoro-4-[4-[4-(trifluoromethoxy)phenyl]piperidin-1-yl]phenyl]methyl]imidazo[1,2-a]pyridine-3-carboxamide;hydrochloride

C29H28ClF5N4O2 — CID 163202152

IUPAC2-ethyl-7-fluoro-N-[[3-fluoro-4-[4-[4-(trifluoromethoxy)phenyl]piperidin-1-yl]phenyl]methyl]imidazo[1,2-a]pyridine-3-carboxamide;hydrochloride
SMILESCCc1nc2cc(F)ccn2c1C(=O)NCc1ccc(N2CCC(c3ccc(OC(F)(F)F)cc3)CC2)c(F)c1.Cl
InChIInChI=1S/C29H27F5N4O2.ClH/c1-2-24-27(38-14-11-21(30)16-26(38)36-24)28(39)35-17-18-3-8-25(23(31)15-18)37-12-9-20(10-13-37)19-4-6-22(7-5-19)40-29(32,33)34;/h3-8,11,14-16,20H,2,9-10,12-13,17H2,1H3,(H,35,39);1H
InChIKeyWGJKNVAADUIBOK-UHFFFAOYSA-N
MW595.01 g/mol
LogP6.81
Rot. Bonds7

About 2-ethyl-7-fluoro-N-[[3-fluoro-4-[4-[4-(trifluoromethoxy)phenyl]piperidin-1-yl]phenyl]methyl]imidazo[1,2-a]pyridine-3-carboxamide;hydrochloride

2-ethyl-7-fluoro-N-[[3-fluoro-4-[4-[4-(trifluoromethoxy)phenyl]piperidin-1-yl]phenyl]methyl]imidazo[1,2-a]pyridine-3-carboxamide;hydrochloride (PubChem CID 163202152) has the molecular formula C29H28ClF5N4O2 and a molecular weight of 595.01 g/mol. Its IUPAC name is 2-ethyl-7-fluoro-N-[[3-fluoro-4-[4-[4-(trifluoromethoxy)phenyl]piperidin-1-yl]phenyl]methyl]imidazo[1,2-a]pyridine-3-carboxamide;hydrochloride.

Molecular Properties

Compound Name2-ethyl-7-fluoro-N-[[3-fluoro-4-[4-[4-(trifluoromethoxy)phenyl]piperidin-1-yl]phenyl]methyl]imidazo[1,2-a]pyridine-3-carboxamide;hydrochloride
PubChem CID163202152
Molecular FormulaC29H28ClF5N4O2
Molecular Weight595.01 g/mol
Exact Mass594.18
IUPAC Name2-ethyl-7-fluoro-N-[[3-fluoro-4-[4-[4-(trifluoromethoxy)phenyl]piperidin-1-yl]phenyl]methyl]imidazo[1,2-a]pyridine-3-carboxamide;hydrochloride
SMILESCCc1nc2cc(F)ccn2c1C(=O)NCc1ccc(N2CCC(c3ccc(OC(F)(F)F)cc3)CC2)c(F)c1.Cl
InChIInChI=1S/C29H27F5N4O2.ClH/c1-2-24-27(38-14-11-21(30)16-26(38)36-24)28(39)35-17-18-3-8-25(23(31)15-18)37-12-9-20(10-13-37)19-4-6-22(7-5-19)40-29(32,33)34;/h3-8,11,14-16,20H,2,9-10,12-13,17H2,1H3,(H,35,39);1H
InChIKeyWGJKNVAADUIBOK-UHFFFAOYSA-N
XLogP6.81
TPSA58.87 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500595.01
LogP ≤ 56.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-7-fluoro-N-[[3-fluoro-4-[4-[4-(trifluoromethoxy)phenyl]piperidin-1-yl]phenyl]methyl]imidazo[1,2-a]pyridine-3-carboxamide;hydrochloride?
The IUPAC name of 2-ethyl-7-fluoro-N-[[3-fluoro-4-[4-[4-(trifluoromethoxy)phenyl]piperidin-1-yl]phenyl]methyl]imidazo[1,2-a]pyridine-3-carboxamide;hydrochloride (CID 163202152) is 2-ethyl-7-fluoro-N-[[3-fluoro-4-[4-[4-(trifluoromethoxy)phenyl]piperidin-1-yl]phenyl]methyl]imidazo[1,2-a]pyridine-3-carboxamide;hydrochloride.
What is the SMILES notation for 2-ethyl-7-fluoro-N-[[3-fluoro-4-[4-[4-(trifluoromethoxy)phenyl]piperidin-1-yl]phenyl]methyl]imidazo[1,2-a]pyridine-3-carboxamide;hydrochloride?
The canonical SMILES for 2-ethyl-7-fluoro-N-[[3-fluoro-4-[4-[4-(trifluoromethoxy)phenyl]piperidin-1-yl]phenyl]methyl]imidazo[1,2-a]pyridine-3-carboxamide;hydrochloride is CCc1nc2cc(F)ccn2c1C(=O)NCc1ccc(N2CCC(c3ccc(OC(F)(F)F)cc3)CC2)c(F)c1.Cl.
What is the InChIKey of 2-ethyl-7-fluoro-N-[[3-fluoro-4-[4-[4-(trifluoromethoxy)phenyl]piperidin-1-yl]phenyl]methyl]imidazo[1,2-a]pyridine-3-carboxamide;hydrochloride?
The InChIKey is WGJKNVAADUIBOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H27F5N4O2.ClH/c1-2-24-27(38-14-11-21(30)16-26(38)36-24)28(39)35-17-18-3-8-25(23(31)15-18)37-12-9-20(10-13-37)19-4-6-22(7-5-19)40-29(32,33)34;/h3-8,11,14-16,20H,2,9-10,12-13,17H2,1H3,(H,35,39);1H.
What are the key properties of 2-ethyl-7-fluoro-N-[[3-fluoro-4-[4-[4-(trifluoromethoxy)phenyl]piperidin-1-yl]phenyl]methyl]imidazo[1,2-a]pyridine-3-carboxamide;hydrochloride?
2-ethyl-7-fluoro-N-[[3-fluoro-4-[4-[4-(trifluoromethoxy)phenyl]piperidin-1-yl]phenyl]methyl]imidazo[1,2-a]pyridine-3-carboxamide;hydrochloride has a molecular weight of 595.01 g/mol, XLogP of 6.81, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-7-fluoro-N-[[3-fluoro-4-[4-[4-(trifluoromethoxy)phenyl]piperidin-1-yl]phenyl]methyl]imidazo[1,2-a]pyridine-3-carboxamide;hydrochloride is sourced from PubChem (CID 163202152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).