1-(6-chloro-2-methylimidazo[1,2-a]pyridin-3-yl)-3-[3-fluoro-4-[(3R)-3-methyl-4-[4-(trifluoromethoxy)phenyl]piperazin-1-yl]phenyl]propan-1-one;hydrochloride

C29H28Cl2F4N4O2 — CID 167682022

IUPAC1-(6-chloro-2-methylimidazo[1,2-a]pyridin-3-yl)-3-[3-fluoro-4-[(3R)-3-methyl-4-[4-(trifluoromethoxy)phenyl]piperazin-1-yl]phenyl]propan-1-one;hydrochloride
SMILESCc1nc2ccc(Cl)cn2c1C(=O)CCc1ccc(N2CCN(c3ccc(OC(F)(F)F)cc3)[C@H](C)C2)c(F)c1.Cl
InChIInChI=1S/C29H27ClF4N4O2.ClH/c1-18-16-36(13-14-37(18)22-6-8-23(9-7-22)40-29(32,33)34)25-10-3-20(15-24(25)31)4-11-26(39)28-19(2)35-27-12-5-21(30)17-38(27)28;/h3,5-10,12,15,17-18H,4,11,13-14,16H2,1-2H3;1H/t18-;/m1./s1
InChIKeyGDZHDCVYQUVASI-GMUIIQOCSA-N
MW611.47 g/mol
LogP7.29
Rot. Bonds7

About 1-(6-chloro-2-methylimidazo[1,2-a]pyridin-3-yl)-3-[3-fluoro-4-[(3R)-3-methyl-4-[4-(trifluoromethoxy)phenyl]piperazin-1-yl]phenyl]propan-1-one;hydrochloride

1-(6-chloro-2-methylimidazo[1,2-a]pyridin-3-yl)-3-[3-fluoro-4-[(3R)-3-methyl-4-[4-(trifluoromethoxy)phenyl]piperazin-1-yl]phenyl]propan-1-one;hydrochloride (PubChem CID 167682022) has the molecular formula C29H28Cl2F4N4O2 and a molecular weight of 611.47 g/mol. Its IUPAC name is 1-(6-chloro-2-methylimidazo[1,2-a]pyridin-3-yl)-3-[3-fluoro-4-[(3R)-3-methyl-4-[4-(trifluoromethoxy)phenyl]piperazin-1-yl]phenyl]propan-1-one;hydrochloride.

Molecular Properties

Compound Name1-(6-chloro-2-methylimidazo[1,2-a]pyridin-3-yl)-3-[3-fluoro-4-[(3R)-3-methyl-4-[4-(trifluoromethoxy)phenyl]piperazin-1-yl]phenyl]propan-1-one;hydrochloride
PubChem CID167682022
Molecular FormulaC29H28Cl2F4N4O2
Molecular Weight611.47 g/mol
Exact Mass610.15
IUPAC Name1-(6-chloro-2-methylimidazo[1,2-a]pyridin-3-yl)-3-[3-fluoro-4-[(3R)-3-methyl-4-[4-(trifluoromethoxy)phenyl]piperazin-1-yl]phenyl]propan-1-one;hydrochloride
SMILESCc1nc2ccc(Cl)cn2c1C(=O)CCc1ccc(N2CCN(c3ccc(OC(F)(F)F)cc3)[C@H](C)C2)c(F)c1.Cl
InChIInChI=1S/C29H27ClF4N4O2.ClH/c1-18-16-36(13-14-37(18)22-6-8-23(9-7-22)40-29(32,33)34)25-10-3-20(15-24(25)31)4-11-26(39)28-19(2)35-27-12-5-21(30)17-38(27)28;/h3,5-10,12,15,17-18H,4,11,13-14,16H2,1-2H3;1H/t18-;/m1./s1
InChIKeyGDZHDCVYQUVASI-GMUIIQOCSA-N
XLogP7.29
TPSA50.08 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500611.47
LogP ≤ 57.29
H-Bond Donors ≤ 50
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

1-(2,6-dimethylimidazo[1,2-a]pyridin-3-yl)-3-[3-fluoro-4-[4-[4-(trifluoromethoxy)phenyl]piperidin-1-yl]phenyl]propan-1-one
CID 158415322
3-[3-fluoro-4-[4-[4-(trifluoromethoxy)phenyl]piperazin-1-yl]phenyl]-1-(2-methylimidazo[1,2-a]pyrazin-3-yl)propan-1-one
CID 167644278
6-chloro-2-ethyl-N-[[3-fluoro-4-[(3S)-4-[2-fluoro-4-(trifluoromethoxy)phenyl]-3-methylpiperazin-1-yl]phenyl]methyl]imidazo[1,2-a]pyridine-3-carboxamide
CID 163202133
6-chloro-N-[[3-fluoro-4-[4-[4-(trifluoromethoxy)phenyl]piperidin-1-yl]phenyl]methyl]-2-methylimidazo[1,2-a]pyridine-3-carboxamide;hydrochloride
CID 163201979
6-chloro-N-[[2,3-difluoro-4-[(3S)-3-methyl-4-[4-(trifluoromethoxy)phenyl]piperazin-1-yl]phenyl]methyl]-2-ethylimidazo[1,2-a]pyridine-3-carboxamide
CID 163202009
1-(6-chloro-2-ethylimidazo[1,2-a]pyridin-3-yl)-3-[4-[4-[[4-(trifluoromethoxy)phenyl]methyl]piperazin-1-yl]phenyl]propan-1-one
CID 118944760
N-[[3-fluoro-4-[(3R)-3-methyl-4-[4-(trifluoromethoxy)phenyl]piperazin-1-yl]phenyl]methyl]-2,5-dimethylpyrazolo[1,5-a]pyridine-3-carboxamide
CID 163202315
N-[[3-fluoro-4-[(3S)-3-methyl-4-[4-(trifluoromethoxy)phenyl]piperazin-1-yl]phenyl]methyl]-2-methylpyrazolo[1,5-a]pyridine-3-carboxamide
CID 163202036
6-chloro-N-[[4-[(3S)-4-(4-ethoxy-3-fluorophenyl)-3-methylpiperazin-1-yl]-3-fluorophenyl]methyl]-2-ethylimidazo[1,2-a]pyridine-3-carboxamide
CID 163202192
6-chloro-2-ethyl-N-[[3-fluoro-4-[4-[4-(trifluoromethoxy)phenyl]piperidin-1-yl]phenyl]methyl]imidazo[1,2-a]pyridine-3-carboxamide
CID 135194010
7-chloro-N-[[3-fluoro-4-[4-[4-(trifluoromethoxy)phenyl]piperidin-1-yl]phenyl]methyl]-2-methylimidazo[1,2-a]pyridine-3-carboxamide;hydrochloride
CID 163202004
3-fluoro-4-[(3S)-3-methyl-4-[4-(trifluoromethoxy)phenyl]piperazin-1-yl]benzonitrile
CID 163392395

Frequently Asked Questions

What is the IUPAC name of 1-(6-chloro-2-methylimidazo[1,2-a]pyridin-3-yl)-3-[3-fluoro-4-[(3R)-3-methyl-4-[4-(trifluoromethoxy)phenyl]piperazin-1-yl]phenyl]propan-1-one;hydrochloride?
The IUPAC name of 1-(6-chloro-2-methylimidazo[1,2-a]pyridin-3-yl)-3-[3-fluoro-4-[(3R)-3-methyl-4-[4-(trifluoromethoxy)phenyl]piperazin-1-yl]phenyl]propan-1-one;hydrochloride (CID 167682022) is 1-(6-chloro-2-methylimidazo[1,2-a]pyridin-3-yl)-3-[3-fluoro-4-[(3R)-3-methyl-4-[4-(trifluoromethoxy)phenyl]piperazin-1-yl]phenyl]propan-1-one;hydrochloride.
What is the SMILES notation for 1-(6-chloro-2-methylimidazo[1,2-a]pyridin-3-yl)-3-[3-fluoro-4-[(3R)-3-methyl-4-[4-(trifluoromethoxy)phenyl]piperazin-1-yl]phenyl]propan-1-one;hydrochloride?
The canonical SMILES for 1-(6-chloro-2-methylimidazo[1,2-a]pyridin-3-yl)-3-[3-fluoro-4-[(3R)-3-methyl-4-[4-(trifluoromethoxy)phenyl]piperazin-1-yl]phenyl]propan-1-one;hydrochloride is Cc1nc2ccc(Cl)cn2c1C(=O)CCc1ccc(N2CCN(c3ccc(OC(F)(F)F)cc3)[C@H](C)C2)c(F)c1.Cl.
What is the InChIKey of 1-(6-chloro-2-methylimidazo[1,2-a]pyridin-3-yl)-3-[3-fluoro-4-[(3R)-3-methyl-4-[4-(trifluoromethoxy)phenyl]piperazin-1-yl]phenyl]propan-1-one;hydrochloride?
The InChIKey is GDZHDCVYQUVASI-GMUIIQOCSA-N. The full InChI is InChI=1S/C29H27ClF4N4O2.ClH/c1-18-16-36(13-14-37(18)22-6-8-23(9-7-22)40-29(32,33)34)25-10-3-20(15-24(25)31)4-11-26(39)28-19(2)35-27-12-5-21(30)17-38(27)28;/h3,5-10,12,15,17-18H,4,11,13-14,16H2,1-2H3;1H/t18-;/m1./s1.
What are the key properties of 1-(6-chloro-2-methylimidazo[1,2-a]pyridin-3-yl)-3-[3-fluoro-4-[(3R)-3-methyl-4-[4-(trifluoromethoxy)phenyl]piperazin-1-yl]phenyl]propan-1-one;hydrochloride?
1-(6-chloro-2-methylimidazo[1,2-a]pyridin-3-yl)-3-[3-fluoro-4-[(3R)-3-methyl-4-[4-(trifluoromethoxy)phenyl]piperazin-1-yl]phenyl]propan-1-one;hydrochloride has a molecular weight of 611.47 g/mol, XLogP of 7.29, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-chloro-2-methylimidazo[1,2-a]pyridin-3-yl)-3-[3-fluoro-4-[(3R)-3-methyl-4-[4-(trifluoromethoxy)phenyl]piperazin-1-yl]phenyl]propan-1-one;hydrochloride is sourced from PubChem (CID 167682022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).