(R)-(6-bromo-2,7-dimethylimidazo[1,2-a]pyridin-3-yl)-(2-propan-2-yloxyphenyl)methanol;(R)-[6-[2-(3-tert-butyl-3-methylazetidin-1-yl)pyrimidin-5-yl]-2,7-dimethylimidazo[1,2-a]pyridin-3-yl]-(2-propan-2-yloxyphenyl)methanol;2-(3-tert-butyl-3-methylazetidin-1-yl)-5-(4,4,5,5-tetramethyl-1,3-dioxolan-2-yl)pyrimidine

C69H91BrN10O6 — CID 158741310

IUPAC(R)-(6-bromo-2,7-dimethylimidazo[1,2-a]pyridin-3-yl)-(2-propan-2-yloxyphenyl)methanol;(R)-[6-[2-(3-tert-butyl-3-methylazetidin-1-yl)pyrimidin-5-yl]-2,7-dimethylimidazo[1,2-a]pyridin-3-yl]-(2-propan-2-yloxyphenyl)methanol;2-(3-tert-butyl-3-methylazetidin-1-yl)-5-(4,4,5,5-tetramethyl-1,3-dioxolan-2-yl)pyrimidine
SMILESCC(C)(C)C1(C)CN(c2ncc(C3OC(C)(C)C(C)(C)O3)cn2)C1.Cc1cc2nc(C)c([C@H](O)c3ccccc3OC(C)C)n2cc1-c1cnc(N2CC(C)(C(C)(C)C)C2)nc1.Cc1cc2nc(C)c([C@H](O)c3ccccc3OC(C)C)n2cc1Br
InChIInChI=1S/C31H39N5O2.C19H21BrN2O2.C19H31N3O2/c1-19(2)38-25-12-10-9-11-23(25)28(37)27-21(4)34-26-13-20(3)24(16-36(26)27)22-14-32-29(33-15-22)35-17-31(8,18-35)30(5,6)7;1-11(2)24-16-8-6-5-7-14(16)19(23)18-13(4)21-17-9-12(3)15(20)10-22(17)18;1-16(2,3)19(8)11-22(12-19)15-20-9-13(10-21-15)14-23-17(4,5)18(6,7)24-14/h9-16,19,28,37H,17-18H2,1-8H3;5-11,19,23H,1-4H3;9-10,14H,11-12H2,1-8H3/t28-;19-;/m11./s1
InChIKeyIMIHFIQWSNZJGI-LUFIRDJHSA-N
MW1236.45 g/mol
LogP14.68
Rot. Bonds12

About (R)-(6-bromo-2,7-dimethylimidazo[1,2-a]pyridin-3-yl)-(2-propan-2-yloxyphenyl)methanol;(R)-[6-[2-(3-tert-butyl-3-methylazetidin-1-yl)pyrimidin-5-yl]-2,7-dimethylimidazo[1,2-a]pyridin-3-yl]-(2-propan-2-yloxyphenyl)methanol;2-(3-tert-butyl-3-methylazetidin-1-yl)-5-(4,4,5,5-tetramethyl-1,3-dioxolan-2-yl)pyrimidine

(R)-(6-bromo-2,7-dimethylimidazo[1,2-a]pyridin-3-yl)-(2-propan-2-yloxyphenyl)methanol;(R)-[6-[2-(3-tert-butyl-3-methylazetidin-1-yl)pyrimidin-5-yl]-2,7-dimethylimidazo[1,2-a]pyridin-3-yl]-(2-propan-2-yloxyphenyl)methanol;2-(3-tert-butyl-3-methylazetidin-1-yl)-5-(4,4,5,5-tetramethyl-1,3-dioxolan-2-yl)pyrimidine (PubChem CID 158741310) has the molecular formula C69H91BrN10O6 and a molecular weight of 1236.45 g/mol. Its IUPAC name is (R)-(6-bromo-2,7-dimethylimidazo[1,2-a]pyridin-3-yl)-(2-propan-2-yloxyphenyl)methanol;(R)-[6-[2-(3-tert-butyl-3-methylazetidin-1-yl)pyrimidin-5-yl]-2,7-dimethylimidazo[1,2-a]pyridin-3-yl]-(2-propan-2-yloxyphenyl)methanol;2-(3-tert-butyl-3-methylazetidin-1-yl)-5-(4,4,5,5-tetramethyl-1,3-dioxolan-2-yl)pyrimidine.

Molecular Properties

Compound Name(R)-(6-bromo-2,7-dimethylimidazo[1,2-a]pyridin-3-yl)-(2-propan-2-yloxyphenyl)methanol;(R)-[6-[2-(3-tert-butyl-3-methylazetidin-1-yl)pyrimidin-5-yl]-2,7-dimethylimidazo[1,2-a]pyridin-3-yl]-(2-propan-2-yloxyphenyl)methanol;2-(3-tert-butyl-3-methylazetidin-1-yl)-5-(4,4,5,5-tetramethyl-1,3-dioxolan-2-yl)pyrimidine
PubChem CID158741310
Molecular FormulaC69H91BrN10O6
Molecular Weight1236.45 g/mol
Exact Mass1234.63
IUPAC Name(R)-(6-bromo-2,7-dimethylimidazo[1,2-a]pyridin-3-yl)-(2-propan-2-yloxyphenyl)methanol;(R)-[6-[2-(3-tert-butyl-3-methylazetidin-1-yl)pyrimidin-5-yl]-2,7-dimethylimidazo[1,2-a]pyridin-3-yl]-(2-propan-2-yloxyphenyl)methanol;2-(3-tert-butyl-3-methylazetidin-1-yl)-5-(4,4,5,5-tetramethyl-1,3-dioxolan-2-yl)pyrimidine
SMILESCC(C)(C)C1(C)CN(c2ncc(C3OC(C)(C)C(C)(C)O3)cn2)C1.Cc1cc2nc(C)c([C@H](O)c3ccccc3OC(C)C)n2cc1-c1cnc(N2CC(C)(C(C)(C)C)C2)nc1.Cc1cc2nc(C)c([C@H](O)c3ccccc3OC(C)C)n2cc1Br
InChIInChI=1S/C31H39N5O2.C19H21BrN2O2.C19H31N3O2/c1-19(2)38-25-12-10-9-11-23(25)28(37)27-21(4)34-26-13-20(3)24(16-36(26)27)22-14-32-29(33-15-22)35-17-31(8,18-35)30(5,6)7;1-11(2)24-16-8-6-5-7-14(16)19(23)18-13(4)21-17-9-12(3)15(20)10-22(17)18;1-16(2,3)19(8)11-22(12-19)15-20-9-13(10-21-15)14-23-17(4,5)18(6,7)24-14/h9-16,19,28,37H,17-18H2,1-8H3;5-11,19,23H,1-4H3;9-10,14H,11-12H2,1-8H3/t28-;19-;/m11./s1
InChIKeyIMIHFIQWSNZJGI-LUFIRDJHSA-N
XLogP14.68
TPSA170.02 Ų
H-Bond Donors2
H-Bond Acceptors16
Rotatable Bonds12
Heavy Atoms86
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001236.45
LogP ≤ 514.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1016

Analyze (R)-(6-bromo-2,7-dimethylimidazo[1,2-a]pyridin-3-yl)-(2-propan-2-yloxyphenyl)methanol;(R)-[6-[2-(3-tert-butyl-3-methylazetidin-1-yl)pyrimidin-5-yl]-2,7-dimethylimidazo[1,2-a]pyridin-3-yl]-(2-propan-2-yloxyphenyl)methanol;2-(3-tert-butyl-3-methylazetidin-1-yl)-5-(4,4,5,5-tetramethyl-1,3-dioxolan-2-yl)pyrimidine with MolForge

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Related Compounds

1-[5-[3-[(R)-[2-(difluoromethoxy)phenyl]-hydroxymethyl]-7-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl]pyrimidin-2-yl]-3-(trifluoromethyl)azetidin-3-ol
CID 145208902
[6-bromo-2-methyl-7-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]-[2-(difluoromethoxy)phenyl]methanol
CID 118235428
[1-[5-[3-[1-[2-(difluoromethoxy)phenyl]ethyl]-7-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl]pyrimidin-2-yl]-4-methylpiperidin-4-yl]methanol
CID 118235677
ethyl 1-[5-[3-[[2-(difluoromethoxy)phenyl]-hydroxymethyl]-2-methylimidazo[1,2-a]pyridin-6-yl]pyrimidin-2-yl]-4-methylpiperidine-4-carboxylate
CID 118235760
(6-bromo-2-methylimidazo[1,2-a]pyridin-3-yl)-[2-(difluoromethoxy)phenyl]methanol
CID 118235690
1-[5-[3-[[2-(difluoromethoxy)phenyl]methyl]-2,7-dimethylimidazo[1,2-a]pyridin-6-yl]pyrimidin-2-yl]piperidine-4-carboxylic acid
CID 72720693
ethyl 1-[5-[3-[amino-[2-(difluoromethoxy)phenyl]methyl]-2-methylimidazo[1,2-a]pyridin-6-yl]pyrimidin-2-yl]-4-methylpiperidine-4-carboxylate
CID 118235633
(3R,5R)-3-[2-(difluoromethoxy)phenyl]-10-fluoro-11-[2-[3-hydroxy-3-(trifluoromethyl)azetidin-1-yl]pyrimidin-5-yl]-5-methyl-1,7-diazatricyclo[6.4.0.02,6]dodeca-2(6),7,9,11-tetraen-5-ol
CID 118153444
sodium 1-[5-[7-chloro-3-[[2-(difluoromethoxy)phenyl]methyl]-2-methylimidazo[1,2-a]pyridin-6-yl]pyrimidin-2-yl]-4-methylpiperidine-4-carboxylate
CID 118235638
(1S,5S)-3-[5-[3-[[2-(difluoromethoxy)phenyl]methyl]-7-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl]pyrimidin-2-yl]-3-azabicyclo[3.1.0]hexane-1-carboxylic acid
CID 118235874
(5-bromo-4-methylthiophen-2-yl)-(2-propan-2-yloxyphenyl)methanol
CID 115823703
1-[5-[3-[[2-(difluoromethoxy)phenyl]methyl]-7-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl]pyrimidin-2-yl]-4-fluoropiperidine-4-carboxylic acid
CID 118235823

Frequently Asked Questions

What is the IUPAC name of (R)-(6-bromo-2,7-dimethylimidazo[1,2-a]pyridin-3-yl)-(2-propan-2-yloxyphenyl)methanol;(R)-[6-[2-(3-tert-butyl-3-methylazetidin-1-yl)pyrimidin-5-yl]-2,7-dimethylimidazo[1,2-a]pyridin-3-yl]-(2-propan-2-yloxyphenyl)methanol;2-(3-tert-butyl-3-methylazetidin-1-yl)-5-(4,4,5,5-tetramethyl-1,3-dioxolan-2-yl)pyrimidine?
The IUPAC name of (R)-(6-bromo-2,7-dimethylimidazo[1,2-a]pyridin-3-yl)-(2-propan-2-yloxyphenyl)methanol;(R)-[6-[2-(3-tert-butyl-3-methylazetidin-1-yl)pyrimidin-5-yl]-2,7-dimethylimidazo[1,2-a]pyridin-3-yl]-(2-propan-2-yloxyphenyl)methanol;2-(3-tert-butyl-3-methylazetidin-1-yl)-5-(4,4,5,5-tetramethyl-1,3-dioxolan-2-yl)pyrimidine (CID 158741310) is (R)-(6-bromo-2,7-dimethylimidazo[1,2-a]pyridin-3-yl)-(2-propan-2-yloxyphenyl)methanol;(R)-[6-[2-(3-tert-butyl-3-methylazetidin-1-yl)pyrimidin-5-yl]-2,7-dimethylimidazo[1,2-a]pyridin-3-yl]-(2-propan-2-yloxyphenyl)methanol;2-(3-tert-butyl-3-methylazetidin-1-yl)-5-(4,4,5,5-tetramethyl-1,3-dioxolan-2-yl)pyrimidine.
What is the SMILES notation for (R)-(6-bromo-2,7-dimethylimidazo[1,2-a]pyridin-3-yl)-(2-propan-2-yloxyphenyl)methanol;(R)-[6-[2-(3-tert-butyl-3-methylazetidin-1-yl)pyrimidin-5-yl]-2,7-dimethylimidazo[1,2-a]pyridin-3-yl]-(2-propan-2-yloxyphenyl)methanol;2-(3-tert-butyl-3-methylazetidin-1-yl)-5-(4,4,5,5-tetramethyl-1,3-dioxolan-2-yl)pyrimidine?
The canonical SMILES for (R)-(6-bromo-2,7-dimethylimidazo[1,2-a]pyridin-3-yl)-(2-propan-2-yloxyphenyl)methanol;(R)-[6-[2-(3-tert-butyl-3-methylazetidin-1-yl)pyrimidin-5-yl]-2,7-dimethylimidazo[1,2-a]pyridin-3-yl]-(2-propan-2-yloxyphenyl)methanol;2-(3-tert-butyl-3-methylazetidin-1-yl)-5-(4,4,5,5-tetramethyl-1,3-dioxolan-2-yl)pyrimidine is CC(C)(C)C1(C)CN(c2ncc(C3OC(C)(C)C(C)(C)O3)cn2)C1.Cc1cc2nc(C)c([C@H](O)c3ccccc3OC(C)C)n2cc1-c1cnc(N2CC(C)(C(C)(C)C)C2)nc1.Cc1cc2nc(C)c([C@H](O)c3ccccc3OC(C)C)n2cc1Br.
What is the InChIKey of (R)-(6-bromo-2,7-dimethylimidazo[1,2-a]pyridin-3-yl)-(2-propan-2-yloxyphenyl)methanol;(R)-[6-[2-(3-tert-butyl-3-methylazetidin-1-yl)pyrimidin-5-yl]-2,7-dimethylimidazo[1,2-a]pyridin-3-yl]-(2-propan-2-yloxyphenyl)methanol;2-(3-tert-butyl-3-methylazetidin-1-yl)-5-(4,4,5,5-tetramethyl-1,3-dioxolan-2-yl)pyrimidine?
The InChIKey is IMIHFIQWSNZJGI-LUFIRDJHSA-N. The full InChI is InChI=1S/C31H39N5O2.C19H21BrN2O2.C19H31N3O2/c1-19(2)38-25-12-10-9-11-23(25)28(37)27-21(4)34-26-13-20(3)24(16-36(26)27)22-14-32-29(33-15-22)35-17-31(8,18-35)30(5,6)7;1-11(2)24-16-8-6-5-7-14(16)19(23)18-13(4)21-17-9-12(3)15(20)10-22(17)18;1-16(2,3)19(8)11-22(12-19)15-20-9-13(10-21-15)14-23-17(4,5)18(6,7)24-14/h9-16,19,28,37H,17-18H2,1-8H3;5-11,19,23H,1-4H3;9-10,14H,11-12H2,1-8H3/t28-;19-;/m11./s1.
What are the key properties of (R)-(6-bromo-2,7-dimethylimidazo[1,2-a]pyridin-3-yl)-(2-propan-2-yloxyphenyl)methanol;(R)-[6-[2-(3-tert-butyl-3-methylazetidin-1-yl)pyrimidin-5-yl]-2,7-dimethylimidazo[1,2-a]pyridin-3-yl]-(2-propan-2-yloxyphenyl)methanol;2-(3-tert-butyl-3-methylazetidin-1-yl)-5-(4,4,5,5-tetramethyl-1,3-dioxolan-2-yl)pyrimidine?
(R)-(6-bromo-2,7-dimethylimidazo[1,2-a]pyridin-3-yl)-(2-propan-2-yloxyphenyl)methanol;(R)-[6-[2-(3-tert-butyl-3-methylazetidin-1-yl)pyrimidin-5-yl]-2,7-dimethylimidazo[1,2-a]pyridin-3-yl]-(2-propan-2-yloxyphenyl)methanol;2-(3-tert-butyl-3-methylazetidin-1-yl)-5-(4,4,5,5-tetramethyl-1,3-dioxolan-2-yl)pyrimidine has a molecular weight of 1236.45 g/mol, XLogP of 14.68, 12 rotatable bonds, 2 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for (R)-(6-bromo-2,7-dimethylimidazo[1,2-a]pyridin-3-yl)-(2-propan-2-yloxyphenyl)methanol;(R)-[6-[2-(3-tert-butyl-3-methylazetidin-1-yl)pyrimidin-5-yl]-2,7-dimethylimidazo[1,2-a]pyridin-3-yl]-(2-propan-2-yloxyphenyl)methanol;2-(3-tert-butyl-3-methylazetidin-1-yl)-5-(4,4,5,5-tetramethyl-1,3-dioxolan-2-yl)pyrimidine is sourced from PubChem (CID 158741310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).