1-[[2-[3-chloro-8-[(2-fluorophenyl)methyl]imidazo[1,2-a]pyrazin-6-yl]-5-fluoropyrimidin-4-yl]amino]-2-methylpropan-2-ol

C21H19ClF2N6O — CID 142611039

IUPAC1-[[2-[3-chloro-8-[(2-fluorophenyl)methyl]imidazo[1,2-a]pyrazin-6-yl]-5-fluoropyrimidin-4-yl]amino]-2-methylpropan-2-ol
SMILESCC(C)(O)CNc1nc(-c2cn3c(Cl)cnc3c(Cc3ccccc3F)n2)ncc1F
InChIInChI=1S/C21H19ClF2N6O/c1-21(2,31)11-27-18-14(24)8-25-19(29-18)16-10-30-17(22)9-26-20(30)15(28-16)7-12-5-3-4-6-13(12)23/h3-6,8-10,31H,7,11H2,1-2H3,(H,25,27,29)
InChIKeyNNANCKKNDCVQAD-UHFFFAOYSA-N
MW444.87 g/mol
LogP3.89
Rot. Bonds6

About 1-[[2-[3-chloro-8-[(2-fluorophenyl)methyl]imidazo[1,2-a]pyrazin-6-yl]-5-fluoropyrimidin-4-yl]amino]-2-methylpropan-2-ol

1-[[2-[3-chloro-8-[(2-fluorophenyl)methyl]imidazo[1,2-a]pyrazin-6-yl]-5-fluoropyrimidin-4-yl]amino]-2-methylpropan-2-ol (PubChem CID 142611039) has the molecular formula C21H19ClF2N6O and a molecular weight of 444.87 g/mol. Its IUPAC name is 1-[[2-[3-chloro-8-[(2-fluorophenyl)methyl]imidazo[1,2-a]pyrazin-6-yl]-5-fluoropyrimidin-4-yl]amino]-2-methylpropan-2-ol.

Molecular Properties

Compound Name1-[[2-[3-chloro-8-[(2-fluorophenyl)methyl]imidazo[1,2-a]pyrazin-6-yl]-5-fluoropyrimidin-4-yl]amino]-2-methylpropan-2-ol
PubChem CID142611039
Molecular FormulaC21H19ClF2N6O
Molecular Weight444.87 g/mol
Exact Mass444.13
IUPAC Name1-[[2-[3-chloro-8-[(2-fluorophenyl)methyl]imidazo[1,2-a]pyrazin-6-yl]-5-fluoropyrimidin-4-yl]amino]-2-methylpropan-2-ol
SMILESCC(C)(O)CNc1nc(-c2cn3c(Cl)cnc3c(Cc3ccccc3F)n2)ncc1F
InChIInChI=1S/C21H19ClF2N6O/c1-21(2,31)11-27-18-14(24)8-25-19(29-18)16-10-30-17(22)9-26-20(30)15(28-16)7-12-5-3-4-6-13(12)23/h3-6,8-10,31H,7,11H2,1-2H3,(H,25,27,29)
InChIKeyNNANCKKNDCVQAD-UHFFFAOYSA-N
XLogP3.89
TPSA88.23 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.87
LogP ≤ 53.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

2-[8-[(2-fluorophenyl)methyl]-[1,2,4]triazolo[1,5-a]pyrazin-6-yl]-4-[[3,3,3-trifluoro-2-hydroxy-2-(trifluoromethyl)propyl]amino]pyrimidine-5-carbonitrile
CID 142611034
8-[(2-fluorophenyl)methyl]-3-iodo-6-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]imidazo[1,2-a]pyrazine
CID 134304600
1-[(2-fluorophenyl)methyl]-3-[5-fluoro-4-[(3,3,3-trifluoro-2-hydroxy-2-methylpropyl)amino]pyrimidin-2-yl]pyrazole-5-carbonitrile
CID 118697557
6-(4-chloro-5-fluoropyrimidin-2-yl)-8-[(2-fluorophenyl)methyl]-[1,2,4]triazolo[1,5-a]pyrazine;(5R)-2,2-dimethyl-5-(trifluoromethyl)-1,3-oxazolidine-5-carboxamide;(2R)-2-hydroxybutanedioic acid;(2R)-3,3,3-trifluoro-2-[[[5-fluoro-2-[8-[(2-fluorophenyl)methyl]-[1,2,4]triazolo[1,5-a]pyrazin-6-yl]pyrimidin-4-yl]amino]methyl]-2-hydroxypropanamide
CID 158762496
1-[[5-fluoro-2-(methylamino)pyrimidin-4-yl]amino]-2-methylpropan-2-ol
CID 80841199
4-chloro-2-[8-[(2-fluorophenyl)methyl]-[1,2,4]triazolo[1,5-a]pyrazin-6-yl]pyrimidine-5-carbonitrile
CID 142611010
3,3,3-trifluoro-2-[[[5-fluoro-2-[1-[(2-fluorophenyl)methyl]-5-methoxypyrazol-3-yl]pyrimidin-4-yl]amino]methyl]-2-hydroxypropanamide
CID 118150757
CID 156868740
CID 156868740
CID 156868761
CID 156868761
3,3,3-trifluoro-2-[[[5-fluoro-2-[1-[(2-fluorophenyl)methyl]-5-(1,2-oxazol-3-yl)pyrazol-3-yl]pyrimidin-4-yl]amino]methyl]-2-hydroxypropanal
CID 145438842
2-ethyl-2-[[[5-fluoro-2-[1-[(2-fluorophenyl)methyl]-5-(1,2-oxazol-3-yl)pyrazol-3-yl]pyrimidin-4-yl]amino]methyl]butanoic acid
CID 90446178
3-[[5-fluoro-2-[1-[(2-fluorophenyl)methyl]-5-methoxypyrazol-3-yl]pyrimidin-4-yl]amino]propane-1,2-diol
CID 118150194

Frequently Asked Questions

What is the IUPAC name of 1-[[2-[3-chloro-8-[(2-fluorophenyl)methyl]imidazo[1,2-a]pyrazin-6-yl]-5-fluoropyrimidin-4-yl]amino]-2-methylpropan-2-ol?
The IUPAC name of 1-[[2-[3-chloro-8-[(2-fluorophenyl)methyl]imidazo[1,2-a]pyrazin-6-yl]-5-fluoropyrimidin-4-yl]amino]-2-methylpropan-2-ol (CID 142611039) is 1-[[2-[3-chloro-8-[(2-fluorophenyl)methyl]imidazo[1,2-a]pyrazin-6-yl]-5-fluoropyrimidin-4-yl]amino]-2-methylpropan-2-ol.
What is the SMILES notation for 1-[[2-[3-chloro-8-[(2-fluorophenyl)methyl]imidazo[1,2-a]pyrazin-6-yl]-5-fluoropyrimidin-4-yl]amino]-2-methylpropan-2-ol?
The canonical SMILES for 1-[[2-[3-chloro-8-[(2-fluorophenyl)methyl]imidazo[1,2-a]pyrazin-6-yl]-5-fluoropyrimidin-4-yl]amino]-2-methylpropan-2-ol is CC(C)(O)CNc1nc(-c2cn3c(Cl)cnc3c(Cc3ccccc3F)n2)ncc1F.
What is the InChIKey of 1-[[2-[3-chloro-8-[(2-fluorophenyl)methyl]imidazo[1,2-a]pyrazin-6-yl]-5-fluoropyrimidin-4-yl]amino]-2-methylpropan-2-ol?
The InChIKey is NNANCKKNDCVQAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19ClF2N6O/c1-21(2,31)11-27-18-14(24)8-25-19(29-18)16-10-30-17(22)9-26-20(30)15(28-16)7-12-5-3-4-6-13(12)23/h3-6,8-10,31H,7,11H2,1-2H3,(H,25,27,29).
What are the key properties of 1-[[2-[3-chloro-8-[(2-fluorophenyl)methyl]imidazo[1,2-a]pyrazin-6-yl]-5-fluoropyrimidin-4-yl]amino]-2-methylpropan-2-ol?
1-[[2-[3-chloro-8-[(2-fluorophenyl)methyl]imidazo[1,2-a]pyrazin-6-yl]-5-fluoropyrimidin-4-yl]amino]-2-methylpropan-2-ol has a molecular weight of 444.87 g/mol, XLogP of 3.89, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[2-[3-chloro-8-[(2-fluorophenyl)methyl]imidazo[1,2-a]pyrazin-6-yl]-5-fluoropyrimidin-4-yl]amino]-2-methylpropan-2-ol is sourced from PubChem (CID 142611039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).