N-[[4-[(3S)-3-butyl-4-[4-(trifluoromethoxy)phenyl]piperazin-1-yl]-3-fluorophenyl]methyl]-2-ethyl-7-fluoroimidazo[1,2-a]pyridine-3-carboxamide;hydrochloride

C32H35ClF5N5O2 — CID 163201878

IUPACN-[[4-[(3S)-3-butyl-4-[4-(trifluoromethoxy)phenyl]piperazin-1-yl]-3-fluorophenyl]methyl]-2-ethyl-7-fluoroimidazo[1,2-a]pyridine-3-carboxamide;hydrochloride
SMILESCCCC[C@H]1CN(c2ccc(CNC(=O)c3c(CC)nc4cc(F)ccn34)cc2F)CCN1c1ccc(OC(F)(F)F)cc1.Cl
InChIInChI=1S/C32H34F5N5O2.ClH/c1-3-5-6-24-20-40(15-16-41(24)23-8-10-25(11-9-23)44-32(35,36)37)28-12-7-21(17-26(28)34)19-38-31(43)30-27(4-2)39-29-18-22(33)13-14-42(29)30;/h7-14,17-18,24H,3-6,15-16,19-20H2,1-2H3,(H,38,43);1H/t24-;/m0./s1
InChIKeyOPZWVZOWCNTHLT-JIDHJSLPSA-N
MW652.11 g/mol
LogP7.31
Rot. Bonds10

About N-[[4-[(3S)-3-butyl-4-[4-(trifluoromethoxy)phenyl]piperazin-1-yl]-3-fluorophenyl]methyl]-2-ethyl-7-fluoroimidazo[1,2-a]pyridine-3-carboxamide;hydrochloride

N-[[4-[(3S)-3-butyl-4-[4-(trifluoromethoxy)phenyl]piperazin-1-yl]-3-fluorophenyl]methyl]-2-ethyl-7-fluoroimidazo[1,2-a]pyridine-3-carboxamide;hydrochloride (PubChem CID 163201878) has the molecular formula C32H35ClF5N5O2 and a molecular weight of 652.11 g/mol. Its IUPAC name is N-[[4-[(3S)-3-butyl-4-[4-(trifluoromethoxy)phenyl]piperazin-1-yl]-3-fluorophenyl]methyl]-2-ethyl-7-fluoroimidazo[1,2-a]pyridine-3-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-[[4-[(3S)-3-butyl-4-[4-(trifluoromethoxy)phenyl]piperazin-1-yl]-3-fluorophenyl]methyl]-2-ethyl-7-fluoroimidazo[1,2-a]pyridine-3-carboxamide;hydrochloride
PubChem CID163201878
Molecular FormulaC32H35ClF5N5O2
Molecular Weight652.11 g/mol
Exact Mass651.24
IUPAC NameN-[[4-[(3S)-3-butyl-4-[4-(trifluoromethoxy)phenyl]piperazin-1-yl]-3-fluorophenyl]methyl]-2-ethyl-7-fluoroimidazo[1,2-a]pyridine-3-carboxamide;hydrochloride
SMILESCCCC[C@H]1CN(c2ccc(CNC(=O)c3c(CC)nc4cc(F)ccn34)cc2F)CCN1c1ccc(OC(F)(F)F)cc1.Cl
InChIInChI=1S/C32H34F5N5O2.ClH/c1-3-5-6-24-20-40(15-16-41(24)23-8-10-25(11-9-23)44-32(35,36)37)28-12-7-21(17-26(28)34)19-38-31(43)30-27(4-2)39-29-18-22(33)13-14-42(29)30;/h7-14,17-18,24H,3-6,15-16,19-20H2,1-2H3,(H,38,43);1H/t24-;/m0./s1
InChIKeyOPZWVZOWCNTHLT-JIDHJSLPSA-N
XLogP7.31
TPSA62.11 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500652.11
LogP ≤ 57.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

Telacebec
CID 68234908
N-[4-[[2-[3-[4-[(dimethylamino)methyl]phenyl]phenoxy]-5-fluoropyridine-3-carbonyl]amino]cyclohexyl]-5-methylimidazo[1,2-a]pyridine-2-carboxamide
CID 59190526
6-chloro-N-[[4-[4-(4-chlorophenoxy)-1-piperidyl]phenyl]methyl]-2-ethyl-imidazo[1,2-a]pyridine-3-carboxamide
CID 67401709
7-chloro-2-ethyl-N-[[4-[4-[4-(trifluoromethoxy)phenyl]piperazin-1-yl]phenyl]methyl]imidazo[1,2-a]pyridine-3-carboxamide
CID 68234668
7-chloro-2-ethyl-N-[[4-[[4-(trifluoromethoxy)phenyl]methoxy]phenyl]methyl]imidazo[1,2-a]pyridine-3-carboxamide
CID 68234745
6-chloro-2-ethyl-N-[[4-[4-[4-(trifluoromethoxy)phenyl]piperazin-1-yl]phenyl]methyl]imidazo[1,2-a]pyridine-3-carboxamide
CID 68235029
N-[2-(4-methoxyphenyl)ethyl]-2-methylimidazo[1,2-a]pyridine-3-carboxamide
CID 675270
7-[3-[4-(4-fluoro-2-methoxyphenyl)piperazin-1-yl]propylamino]-N,N,2,3-tetramethylimidazo[4,5-b]pyridine-6-carboxamide
CID 10743446
2-Methyl-imidazo[1,2-a]pyridine-3-carboxylic acid 4-methoxy-benzylamide
CID 1073190
3-(4-(1H-pyrrolo[2,3-b]pyridin-4-yloxy)-3-fluorophenylamino)-N-(2,4-difluorophenyl)pyrazine-2-carboxamide
CID 16222089
N-[4-[7-(3-fluoro-4-methoxyphenyl)-1,3-dimethyl-2,6-dioxopurin-8-yl]phenyl]acetamide
CID 52920522
N-[[4-(4-fluorophenoxy)phenyl]methyl]-2,7-dimethylimidazo[1,2-a]pyridine-3-carboxamide
CID 52935300

Frequently Asked Questions

What is the IUPAC name of N-[[4-[(3S)-3-butyl-4-[4-(trifluoromethoxy)phenyl]piperazin-1-yl]-3-fluorophenyl]methyl]-2-ethyl-7-fluoroimidazo[1,2-a]pyridine-3-carboxamide;hydrochloride?
The IUPAC name of N-[[4-[(3S)-3-butyl-4-[4-(trifluoromethoxy)phenyl]piperazin-1-yl]-3-fluorophenyl]methyl]-2-ethyl-7-fluoroimidazo[1,2-a]pyridine-3-carboxamide;hydrochloride (CID 163201878) is N-[[4-[(3S)-3-butyl-4-[4-(trifluoromethoxy)phenyl]piperazin-1-yl]-3-fluorophenyl]methyl]-2-ethyl-7-fluoroimidazo[1,2-a]pyridine-3-carboxamide;hydrochloride.
What is the SMILES notation for N-[[4-[(3S)-3-butyl-4-[4-(trifluoromethoxy)phenyl]piperazin-1-yl]-3-fluorophenyl]methyl]-2-ethyl-7-fluoroimidazo[1,2-a]pyridine-3-carboxamide;hydrochloride?
The canonical SMILES for N-[[4-[(3S)-3-butyl-4-[4-(trifluoromethoxy)phenyl]piperazin-1-yl]-3-fluorophenyl]methyl]-2-ethyl-7-fluoroimidazo[1,2-a]pyridine-3-carboxamide;hydrochloride is CCCC[C@H]1CN(c2ccc(CNC(=O)c3c(CC)nc4cc(F)ccn34)cc2F)CCN1c1ccc(OC(F)(F)F)cc1.Cl.
What is the InChIKey of N-[[4-[(3S)-3-butyl-4-[4-(trifluoromethoxy)phenyl]piperazin-1-yl]-3-fluorophenyl]methyl]-2-ethyl-7-fluoroimidazo[1,2-a]pyridine-3-carboxamide;hydrochloride?
The InChIKey is OPZWVZOWCNTHLT-JIDHJSLPSA-N. The full InChI is InChI=1S/C32H34F5N5O2.ClH/c1-3-5-6-24-20-40(15-16-41(24)23-8-10-25(11-9-23)44-32(35,36)37)28-12-7-21(17-26(28)34)19-38-31(43)30-27(4-2)39-29-18-22(33)13-14-42(29)30;/h7-14,17-18,24H,3-6,15-16,19-20H2,1-2H3,(H,38,43);1H/t24-;/m0./s1.
What are the key properties of N-[[4-[(3S)-3-butyl-4-[4-(trifluoromethoxy)phenyl]piperazin-1-yl]-3-fluorophenyl]methyl]-2-ethyl-7-fluoroimidazo[1,2-a]pyridine-3-carboxamide;hydrochloride?
N-[[4-[(3S)-3-butyl-4-[4-(trifluoromethoxy)phenyl]piperazin-1-yl]-3-fluorophenyl]methyl]-2-ethyl-7-fluoroimidazo[1,2-a]pyridine-3-carboxamide;hydrochloride has a molecular weight of 652.11 g/mol, XLogP of 7.31, 10 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-[(3S)-3-butyl-4-[4-(trifluoromethoxy)phenyl]piperazin-1-yl]-3-fluorophenyl]methyl]-2-ethyl-7-fluoroimidazo[1,2-a]pyridine-3-carboxamide;hydrochloride is sourced from PubChem (CID 163201878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).