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

C29H30Cl2F4N6O2 — CID 163202158

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-methylimidazo[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-methylimidazo[1,2-a]pyridine-3-carboxamide;hydrochloride (PubChem CID 163202158) has the molecular formula C29H30Cl2F4N6O2 and a molecular weight of 641.50 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-methylimidazo[1,2-a]pyridine-3-carboxamide;hydrochloride.

Molecular Properties

• Compound Name: 6-chloro-N-[[4-[(2R,5S)-2,5-dimethyl-4-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]piperazin-1-yl]-3-fluorophenyl]methyl]-2-methylimidazo[1,2-a]pyridine-3-carboxamide;hydrochloride
• PubChem CID: 163202158
• Molecular Formula: C29H30Cl2F4N6O2
• Molecular Weight: 641.50 g/mol
• Exact Mass: 640.17
• IUPAC Name: 6-chloro-N-[[4-[(2R,5S)-2,5-dimethyl-4-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]piperazin-1-yl]-3-fluorophenyl]methyl]-2-methylimidazo[1,2-a]pyridine-3-carboxamide;hydrochloride
• SMILES: Cc1nc2ccc(Cl)cn2c1C(=O)NCc1ccc(N2C[C@H](C)N(c3ccc(OCC(F)(F)F)nc3)C[C@H]2C)c(F)c1.Cl
• InChI: InChI=1S/C29H29ClF4N6O2.ClH/c1-17-14-39(18(2)13-38(17)22-6-9-26(35-12-22)42-16-29(32,33)34)24-7-4-20(10-23(24)31)11-36-28(41)27-19(3)37-25-8-5-21(30)15-40(25)27;/h4-10,12,15,17-18H,11,13-14,16H2,1-3H3,(H,36,41);1H/t17-,18+;/m0./s1
• InChIKey: ZZVCJYVEJLJQIH-CJRXIRLBSA-N
• XLogP: 6.23
• TPSA: 75.00 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 7
• Heavy Atoms: 43
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	641.50
LogP ≤ 5	6.23
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

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-methylimidazo[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-methylimidazo[1,2-a]pyridine-3-carboxamide;hydrochloride (CID 163202158) 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-methylimidazo[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-methylimidazo[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-methylimidazo[1,2-a]pyridine-3-carboxamide;hydrochloride is Cc1nc2ccc(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-methylimidazo[1,2-a]pyridine-3-carboxamide;hydrochloride?

The InChIKey is ZZVCJYVEJLJQIH-CJRXIRLBSA-N. The full InChI is InChI=1S/C29H29ClF4N6O2.ClH/c1-17-14-39(18(2)13-38(17)22-6-9-26(35-12-22)42-16-29(32,33)34)24-7-4-20(10-23(24)31)11-36-28(41)27-19(3)37-25-8-5-21(30)15-40(25)27;/h4-10,12,15,17-18H,11,13-14,16H2,1-3H3,(H,36,41);1H/t17-,18+;/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-methylimidazo[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-methylimidazo[1,2-a]pyridine-3-carboxamide;hydrochloride has a molecular weight of 641.50 g/mol, XLogP of 6.23, 7 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-methylimidazo[1,2-a]pyridine-3-carboxamide;hydrochloride is sourced from PubChem (CID 163202158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).