2-[4-[4-[[5-chloro-4-(6-fluoroimidazo[1,2-a]pyridin-3-yl)pyrimidin-2-yl]amino]-3-methoxyphenyl]piperazin-1-yl]-2-methylpropan-1-ol

C26H29ClFN7O2 — CID 59291190

IUPAC2-[4-[4-[[5-chloro-4-(6-fluoroimidazo[1,2-a]pyridin-3-yl)pyrimidin-2-yl]amino]-3-methoxyphenyl]piperazin-1-yl]-2-methylpropan-1-ol
SMILESCOc1cc(N2CCN(C(C)(C)CO)CC2)ccc1Nc1ncc(Cl)c(-c2cnc3ccc(F)cn23)n1
InChIInChI=1S/C26H29ClFN7O2/c1-26(2,16-36)34-10-8-33(9-11-34)18-5-6-20(22(12-18)37-3)31-25-30-13-19(27)24(32-25)21-14-29-23-7-4-17(28)15-35(21)23/h4-7,12-15,36H,8-11,16H2,1-3H3,(H,30,31,32)
InChIKeyCJVKJACAZULCLG-UHFFFAOYSA-N
MW526.02 g/mol
LogP4.23
Rot. Bonds7

About 2-[4-[4-[[5-chloro-4-(6-fluoroimidazo[1,2-a]pyridin-3-yl)pyrimidin-2-yl]amino]-3-methoxyphenyl]piperazin-1-yl]-2-methylpropan-1-ol

2-[4-[4-[[5-chloro-4-(6-fluoroimidazo[1,2-a]pyridin-3-yl)pyrimidin-2-yl]amino]-3-methoxyphenyl]piperazin-1-yl]-2-methylpropan-1-ol (PubChem CID 59291190) has the molecular formula C26H29ClFN7O2 and a molecular weight of 526.02 g/mol. Its IUPAC name is 2-[4-[4-[[5-chloro-4-(6-fluoroimidazo[1,2-a]pyridin-3-yl)pyrimidin-2-yl]amino]-3-methoxyphenyl]piperazin-1-yl]-2-methylpropan-1-ol.

Molecular Properties

Compound Name2-[4-[4-[[5-chloro-4-(6-fluoroimidazo[1,2-a]pyridin-3-yl)pyrimidin-2-yl]amino]-3-methoxyphenyl]piperazin-1-yl]-2-methylpropan-1-ol
PubChem CID59291190
Molecular FormulaC26H29ClFN7O2
Molecular Weight526.02 g/mol
Exact Mass525.21
IUPAC Name2-[4-[4-[[5-chloro-4-(6-fluoroimidazo[1,2-a]pyridin-3-yl)pyrimidin-2-yl]amino]-3-methoxyphenyl]piperazin-1-yl]-2-methylpropan-1-ol
SMILESCOc1cc(N2CCN(C(C)(C)CO)CC2)ccc1Nc1ncc(Cl)c(-c2cnc3ccc(F)cn23)n1
InChIInChI=1S/C26H29ClFN7O2/c1-26(2,16-36)34-10-8-33(9-11-34)18-5-6-20(22(12-18)37-3)31-25-30-13-19(27)24(32-25)21-14-29-23-7-4-17(28)15-35(21)23/h4-7,12-15,36H,8-11,16H2,1-3H3,(H,30,31,32)
InChIKeyCJVKJACAZULCLG-UHFFFAOYSA-N
XLogP4.23
TPSA91.05 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500526.02
LogP ≤ 54.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Analyze 2-[4-[4-[[5-chloro-4-(6-fluoroimidazo[1,2-a]pyridin-3-yl)pyrimidin-2-yl]amino]-3-methoxyphenyl]piperazin-1-yl]-2-methylpropan-1-ol with MolForge

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Related Compounds

2-[4-[4-[(5-chloro-4-imidazo[1,2-a]pyridin-3-ylpyrimidin-2-yl)amino]-3-methoxyphenyl]piperazin-1-yl]ethanol
CID 45380694
[4-[4-[(5-chloro-4-imidazo[1,2-a]pyridin-3-ylpyrimidin-2-yl)amino]-3-methoxyphenyl]piperazin-1-yl]-morpholin-4-ylmethanone
CID 59291061
2-[4-[4-[(5-chloro-4-imidazo[1,2-a]pyridin-3-ylpyrimidin-2-yl)amino]-3-methoxyphenyl]piperazin-1-yl]propanamide
CID 91082116
N-[[3-[2-[4-(4-acetylpiperazin-1-yl)-2-methoxyanilino]-5-chloropyrimidin-4-yl]imidazo[1,2-a]pyridin-7-yl]methyl]-N-methylacetamide
CID 59291117
N-[4-(4-tert-butylpiperazin-1-yl)-2-methoxyphenyl]-5-chloro-4-methylpyrimidin-2-amine
CID 118297599
2-[4-[4-[(5-chloro-4-imidazo[1,2-a]pyridin-3-ylpyrimidin-2-yl)amino]-3-methoxyphenyl]piperazin-1-yl]-1-morpholin-4-ylethanone
CID 68593342
1-[4-[4-[[5-chloro-4-[7-(morpholin-4-ylmethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-yl]amino]-3-methoxyphenyl]piperazin-1-yl]ethanone
CID 59291147
N-[4-[(3R)-3-aminopyrrolidin-1-yl]-2-methoxyphenyl]-5-chloro-4-imidazo[1,2-a]pyridin-3-ylpyrimidin-2-amine
CID 59291184
5-chloro-N-(2-methoxy-4-piperazin-1-ylphenyl)-4-[7-(methylaminomethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-amine
CID 173096872
1-[4-[4-[[4-imidazo[1,2-a]pyridin-3-yl-5-(trifluoromethyl)pyrimidin-2-yl]amino]-3-methoxyphenyl]piperazin-1-yl]ethanone
CID 56683651
1-[4-[4-[(5-chloro-4-imidazo[1,2-a]pyridin-3-ylpyrimidin-2-yl)amino]-3-fluoro-5-methoxyphenyl]piperazin-1-yl]ethanone
CID 45380508
1-[[4-[(5-chloro-4-imidazo[1,2-a]pyridin-3-ylpyrimidin-2-yl)amino]-3-methoxyphenyl]methyl]azetidin-3-ol
CID 68594167

Frequently Asked Questions

What is the IUPAC name of 2-[4-[4-[[5-chloro-4-(6-fluoroimidazo[1,2-a]pyridin-3-yl)pyrimidin-2-yl]amino]-3-methoxyphenyl]piperazin-1-yl]-2-methylpropan-1-ol?
The IUPAC name of 2-[4-[4-[[5-chloro-4-(6-fluoroimidazo[1,2-a]pyridin-3-yl)pyrimidin-2-yl]amino]-3-methoxyphenyl]piperazin-1-yl]-2-methylpropan-1-ol (CID 59291190) is 2-[4-[4-[[5-chloro-4-(6-fluoroimidazo[1,2-a]pyridin-3-yl)pyrimidin-2-yl]amino]-3-methoxyphenyl]piperazin-1-yl]-2-methylpropan-1-ol.
What is the SMILES notation for 2-[4-[4-[[5-chloro-4-(6-fluoroimidazo[1,2-a]pyridin-3-yl)pyrimidin-2-yl]amino]-3-methoxyphenyl]piperazin-1-yl]-2-methylpropan-1-ol?
The canonical SMILES for 2-[4-[4-[[5-chloro-4-(6-fluoroimidazo[1,2-a]pyridin-3-yl)pyrimidin-2-yl]amino]-3-methoxyphenyl]piperazin-1-yl]-2-methylpropan-1-ol is COc1cc(N2CCN(C(C)(C)CO)CC2)ccc1Nc1ncc(Cl)c(-c2cnc3ccc(F)cn23)n1.
What is the InChIKey of 2-[4-[4-[[5-chloro-4-(6-fluoroimidazo[1,2-a]pyridin-3-yl)pyrimidin-2-yl]amino]-3-methoxyphenyl]piperazin-1-yl]-2-methylpropan-1-ol?
The InChIKey is CJVKJACAZULCLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H29ClFN7O2/c1-26(2,16-36)34-10-8-33(9-11-34)18-5-6-20(22(12-18)37-3)31-25-30-13-19(27)24(32-25)21-14-29-23-7-4-17(28)15-35(21)23/h4-7,12-15,36H,8-11,16H2,1-3H3,(H,30,31,32).
What are the key properties of 2-[4-[4-[[5-chloro-4-(6-fluoroimidazo[1,2-a]pyridin-3-yl)pyrimidin-2-yl]amino]-3-methoxyphenyl]piperazin-1-yl]-2-methylpropan-1-ol?
2-[4-[4-[[5-chloro-4-(6-fluoroimidazo[1,2-a]pyridin-3-yl)pyrimidin-2-yl]amino]-3-methoxyphenyl]piperazin-1-yl]-2-methylpropan-1-ol has a molecular weight of 526.02 g/mol, XLogP of 4.23, 7 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[4-[[5-chloro-4-(6-fluoroimidazo[1,2-a]pyridin-3-yl)pyrimidin-2-yl]amino]-3-methoxyphenyl]piperazin-1-yl]-2-methylpropan-1-ol is sourced from PubChem (CID 59291190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).