6-chloro-N-[[4-[(2R,5S)-2,5-dimethyl-4-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]piperazin-1-yl]-3-fluorophenyl]methyl]-2-ethylimidazo[1,2-a]pyridine-3-carboxamide;hydrochloride

C30H32Cl2F4N6O2 — CID 163202426

IUPAC6-chloro-N-[[4-[(2R,5S)-2,5-dimethyl-4-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]piperazin-1-yl]-3-fluorophenyl]methyl]-2-ethylimidazo[1,2-a]pyridine-3-carboxamide;hydrochloride
SMILESCCc1nc2ccc(Cl)cn2c1C(=O)NCc1ccc(N2C[C@H](C)N(c3ccc(OCC(F)(F)F)nc3)C[C@H]2C)c(F)c1.Cl
InChIInChI=1S/C30H31ClF4N6O2.ClH/c1-4-24-28(41-16-21(31)6-9-26(41)38-24)29(42)37-12-20-5-8-25(23(32)11-20)40-15-18(2)39(14-19(40)3)22-7-10-27(36-13-22)43-17-30(33,34)35;/h5-11,13,16,18-19H,4,12,14-15,17H2,1-3H3,(H,37,42);1H/t18-,19+;/m0./s1
InChIKeyIAIPHMJQPOOGMI-GRTNUQQKSA-N
MW655.52 g/mol
LogP6.48
Rot. Bonds8

About 6-chloro-N-[[4-[(2R,5S)-2,5-dimethyl-4-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]piperazin-1-yl]-3-fluorophenyl]methyl]-2-ethylimidazo[1,2-a]pyridine-3-carboxamide;hydrochloride

6-chloro-N-[[4-[(2R,5S)-2,5-dimethyl-4-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]piperazin-1-yl]-3-fluorophenyl]methyl]-2-ethylimidazo[1,2-a]pyridine-3-carboxamide;hydrochloride (PubChem CID 163202426) has the molecular formula C30H32Cl2F4N6O2 and a molecular weight of 655.52 g/mol. Its IUPAC name is 6-chloro-N-[[4-[(2R,5S)-2,5-dimethyl-4-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]piperazin-1-yl]-3-fluorophenyl]methyl]-2-ethylimidazo[1,2-a]pyridine-3-carboxamide;hydrochloride.

Molecular Properties

Compound Name6-chloro-N-[[4-[(2R,5S)-2,5-dimethyl-4-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]piperazin-1-yl]-3-fluorophenyl]methyl]-2-ethylimidazo[1,2-a]pyridine-3-carboxamide;hydrochloride
PubChem CID163202426
Molecular FormulaC30H32Cl2F4N6O2
Molecular Weight655.52 g/mol
Exact Mass654.19
IUPAC Name6-chloro-N-[[4-[(2R,5S)-2,5-dimethyl-4-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]piperazin-1-yl]-3-fluorophenyl]methyl]-2-ethylimidazo[1,2-a]pyridine-3-carboxamide;hydrochloride
SMILESCCc1nc2ccc(Cl)cn2c1C(=O)NCc1ccc(N2C[C@H](C)N(c3ccc(OCC(F)(F)F)nc3)C[C@H]2C)c(F)c1.Cl
InChIInChI=1S/C30H31ClF4N6O2.ClH/c1-4-24-28(41-16-21(31)6-9-26(41)38-24)29(42)37-12-20-5-8-25(23(32)11-20)40-15-18(2)39(14-19(40)3)22-7-10-27(36-13-22)43-17-30(33,34)35;/h5-11,13,16,18-19H,4,12,14-15,17H2,1-3H3,(H,37,42);1H/t18-,19+;/m0./s1
InChIKeyIAIPHMJQPOOGMI-GRTNUQQKSA-N
XLogP6.48
TPSA75.00 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500655.52
LogP ≤ 56.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 6-chloro-N-[[4-[(2R,5S)-2,5-dimethyl-4-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]piperazin-1-yl]-3-fluorophenyl]methyl]-2-ethylimidazo[1,2-a]pyridine-3-carboxamide;hydrochloride with MolForge

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Related Compounds

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CID 53316388
[4-[[2-(4-Chlorophenyl)imidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]-[6-(trifluoromethyloxy)pyridin-2-yl]methanone
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CID 67401709
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CID 68235029
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CID 53466897
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CID 67403725

Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-[[4-[(2R,5S)-2,5-dimethyl-4-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]piperazin-1-yl]-3-fluorophenyl]methyl]-2-ethylimidazo[1,2-a]pyridine-3-carboxamide;hydrochloride?
The IUPAC name of 6-chloro-N-[[4-[(2R,5S)-2,5-dimethyl-4-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]piperazin-1-yl]-3-fluorophenyl]methyl]-2-ethylimidazo[1,2-a]pyridine-3-carboxamide;hydrochloride (CID 163202426) is 6-chloro-N-[[4-[(2R,5S)-2,5-dimethyl-4-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]piperazin-1-yl]-3-fluorophenyl]methyl]-2-ethylimidazo[1,2-a]pyridine-3-carboxamide;hydrochloride.
What is the SMILES notation for 6-chloro-N-[[4-[(2R,5S)-2,5-dimethyl-4-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]piperazin-1-yl]-3-fluorophenyl]methyl]-2-ethylimidazo[1,2-a]pyridine-3-carboxamide;hydrochloride?
The canonical SMILES for 6-chloro-N-[[4-[(2R,5S)-2,5-dimethyl-4-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]piperazin-1-yl]-3-fluorophenyl]methyl]-2-ethylimidazo[1,2-a]pyridine-3-carboxamide;hydrochloride is CCc1nc2ccc(Cl)cn2c1C(=O)NCc1ccc(N2C[C@H](C)N(c3ccc(OCC(F)(F)F)nc3)C[C@H]2C)c(F)c1.Cl.
What is the InChIKey of 6-chloro-N-[[4-[(2R,5S)-2,5-dimethyl-4-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]piperazin-1-yl]-3-fluorophenyl]methyl]-2-ethylimidazo[1,2-a]pyridine-3-carboxamide;hydrochloride?
The InChIKey is IAIPHMJQPOOGMI-GRTNUQQKSA-N. The full InChI is InChI=1S/C30H31ClF4N6O2.ClH/c1-4-24-28(41-16-21(31)6-9-26(41)38-24)29(42)37-12-20-5-8-25(23(32)11-20)40-15-18(2)39(14-19(40)3)22-7-10-27(36-13-22)43-17-30(33,34)35;/h5-11,13,16,18-19H,4,12,14-15,17H2,1-3H3,(H,37,42);1H/t18-,19+;/m0./s1.
What are the key properties of 6-chloro-N-[[4-[(2R,5S)-2,5-dimethyl-4-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]piperazin-1-yl]-3-fluorophenyl]methyl]-2-ethylimidazo[1,2-a]pyridine-3-carboxamide;hydrochloride?
6-chloro-N-[[4-[(2R,5S)-2,5-dimethyl-4-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]piperazin-1-yl]-3-fluorophenyl]methyl]-2-ethylimidazo[1,2-a]pyridine-3-carboxamide;hydrochloride has a molecular weight of 655.52 g/mol, XLogP of 6.48, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-[[4-[(2R,5S)-2,5-dimethyl-4-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]piperazin-1-yl]-3-fluorophenyl]methyl]-2-ethylimidazo[1,2-a]pyridine-3-carboxamide;hydrochloride is sourced from PubChem (CID 163202426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).