2-methyl-2-[[5-[[6-methyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]amino]-1,2-thiazol-3-yl]methyl-(2,2,2-trifluoroethyl)amino]propan-1-ol;hydrochloride

C20H24ClF3N8OS — CID 53322995

IUPAC2-methyl-2-[[5-[[6-methyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]amino]-1,2-thiazol-3-yl]methyl-(2,2,2-trifluoroethyl)amino]propan-1-ol;hydrochloride
SMILESCc1cn2c(-c3cn[nH]c3)cnc2c(Nc2cc(CN(CC(F)(F)F)C(C)(C)CO)ns2)n1.Cl
InChIInChI=1S/C20H23F3N8OS.ClH/c1-12-8-31-15(13-5-25-26-6-13)7-24-18(31)17(27-12)28-16-4-14(29-33-16)9-30(10-20(21,22)23)19(2,3)11-32;/h4-8,32H,9-11H2,1-3H3,(H,25,26)(H,27,28);1H
InChIKeyMVSJDIKQVYOMNC-UHFFFAOYSA-N
MW516.98 g/mol
LogP4.18
Rot. Bonds8

About 2-methyl-2-[[5-[[6-methyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]amino]-1,2-thiazol-3-yl]methyl-(2,2,2-trifluoroethyl)amino]propan-1-ol;hydrochloride

2-methyl-2-[[5-[[6-methyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]amino]-1,2-thiazol-3-yl]methyl-(2,2,2-trifluoroethyl)amino]propan-1-ol;hydrochloride (PubChem CID 53322995) has the molecular formula C20H24ClF3N8OS and a molecular weight of 516.98 g/mol. Its IUPAC name is 2-methyl-2-[[5-[[6-methyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]amino]-1,2-thiazol-3-yl]methyl-(2,2,2-trifluoroethyl)amino]propan-1-ol;hydrochloride.

Molecular Properties

Compound Name2-methyl-2-[[5-[[6-methyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]amino]-1,2-thiazol-3-yl]methyl-(2,2,2-trifluoroethyl)amino]propan-1-ol;hydrochloride
PubChem CID53322995
Molecular FormulaC20H24ClF3N8OS
Molecular Weight516.98 g/mol
Exact Mass516.14
IUPAC Name2-methyl-2-[[5-[[6-methyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]amino]-1,2-thiazol-3-yl]methyl-(2,2,2-trifluoroethyl)amino]propan-1-ol;hydrochloride
SMILESCc1cn2c(-c3cn[nH]c3)cnc2c(Nc2cc(CN(CC(F)(F)F)C(C)(C)CO)ns2)n1.Cl
InChIInChI=1S/C20H23F3N8OS.ClH/c1-12-8-31-15(13-5-25-26-6-13)7-24-18(31)17(27-12)28-16-4-14(29-33-16)9-30(10-20(21,22)23)19(2,3)11-32;/h4-8,32H,9-11H2,1-3H3,(H,25,26)(H,27,28);1H
InChIKeyMVSJDIKQVYOMNC-UHFFFAOYSA-N
XLogP4.18
TPSA107.26 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500516.98
LogP ≤ 54.18
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

Analyze 2-methyl-2-[[5-[[6-methyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]amino]-1,2-thiazol-3-yl]methyl-(2,2,2-trifluoroethyl)amino]propan-1-ol;hydrochloride with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-[[5-[[6-methyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]amino]-1,2-thiazol-3-yl]methyl-(2,2,2-trifluoroethyl)amino]propan-1-ol;hydrochloride?
The IUPAC name of 2-methyl-2-[[5-[[6-methyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]amino]-1,2-thiazol-3-yl]methyl-(2,2,2-trifluoroethyl)amino]propan-1-ol;hydrochloride (CID 53322995) is 2-methyl-2-[[5-[[6-methyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]amino]-1,2-thiazol-3-yl]methyl-(2,2,2-trifluoroethyl)amino]propan-1-ol;hydrochloride.
What is the SMILES notation for 2-methyl-2-[[5-[[6-methyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]amino]-1,2-thiazol-3-yl]methyl-(2,2,2-trifluoroethyl)amino]propan-1-ol;hydrochloride?
The canonical SMILES for 2-methyl-2-[[5-[[6-methyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]amino]-1,2-thiazol-3-yl]methyl-(2,2,2-trifluoroethyl)amino]propan-1-ol;hydrochloride is Cc1cn2c(-c3cn[nH]c3)cnc2c(Nc2cc(CN(CC(F)(F)F)C(C)(C)CO)ns2)n1.Cl.
What is the InChIKey of 2-methyl-2-[[5-[[6-methyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]amino]-1,2-thiazol-3-yl]methyl-(2,2,2-trifluoroethyl)amino]propan-1-ol;hydrochloride?
The InChIKey is MVSJDIKQVYOMNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23F3N8OS.ClH/c1-12-8-31-15(13-5-25-26-6-13)7-24-18(31)17(27-12)28-16-4-14(29-33-16)9-30(10-20(21,22)23)19(2,3)11-32;/h4-8,32H,9-11H2,1-3H3,(H,25,26)(H,27,28);1H.
What are the key properties of 2-methyl-2-[[5-[[6-methyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]amino]-1,2-thiazol-3-yl]methyl-(2,2,2-trifluoroethyl)amino]propan-1-ol;hydrochloride?
2-methyl-2-[[5-[[6-methyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]amino]-1,2-thiazol-3-yl]methyl-(2,2,2-trifluoroethyl)amino]propan-1-ol;hydrochloride has a molecular weight of 516.98 g/mol, XLogP of 4.18, 8 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-[[5-[[6-methyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]amino]-1,2-thiazol-3-yl]methyl-(2,2,2-trifluoroethyl)amino]propan-1-ol;hydrochloride is sourced from PubChem (CID 53322995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).