4-[[3-[6-[4-[3-bromo-4-[(5-fluoro-3-methyl-2-pyridinyl)methoxy]-6-methyl-2-oxo-1-pyridinyl]-5-methyl-2-pyridinyl]-2-(2-hydroxypropan-2-yl)pyrimidin-4-yl]-5-fluoro-2-pyridinyl]methoxy]-3-chloro-1-[2-[6-(2-hydroxypropan-2-yl)-2-pyridinyl]-5-methyl-4-pyridinyl]-6-methylpyridin-2-one

C52H47BrClF2N9O6 — CID 156868828

IUPAC4-[[3-[6-[4-[3-bromo-4-[(5-fluoro-3-methyl-2-pyridinyl)methoxy]-6-methyl-2-oxo-1-pyridinyl]-5-methyl-2-pyridinyl]-2-(2-hydroxypropan-2-yl)pyrimidin-4-yl]-5-fluoro-2-pyridinyl]methoxy]-3-chloro-1-[2-[6-(2-hydroxypropan-2-yl)-2-pyridinyl]-5-methyl-4-pyridinyl]-6-methylpyridin-2-one
SMILESCc1cnc(-c2cccc(C(C)(C)O)n2)cc1-n1c(C)cc(OCc2ncc(F)cc2-c2cc(-c3cc(-n4c(C)cc(OCc5ncc(F)cc5C)c(Br)c4=O)c(C)cn3)nc(C(C)(C)O)n2)c(Cl)c1=O
InChIInChI=1S/C52H47BrClF2N9O6/c1-26-13-31(55)22-59-39(26)24-70-43-14-29(4)64(48(66)46(43)53)41-19-37(58-21-27(41)2)38-17-35(62-50(63-38)52(8,9)69)33-16-32(56)23-60-40(33)25-71-44-15-30(5)65(49(67)47(44)54)42-18-36(57-20-28(42)3)34-11-10-12-45(61-34)51(6,7)68/h10-23,68-69H,24-25H2,1-9H3
InChIKeyMRNMYAKNXWZTCW-UHFFFAOYSA-N
MW1047.36 g/mol
LogP9.60
Rot. Bonds13

About 4-[[3-[6-[4-[3-bromo-4-[(5-fluoro-3-methyl-2-pyridinyl)methoxy]-6-methyl-2-oxo-1-pyridinyl]-5-methyl-2-pyridinyl]-2-(2-hydroxypropan-2-yl)pyrimidin-4-yl]-5-fluoro-2-pyridinyl]methoxy]-3-chloro-1-[2-[6-(2-hydroxypropan-2-yl)-2-pyridinyl]-5-methyl-4-pyridinyl]-6-methylpyridin-2-one

4-[[3-[6-[4-[3-bromo-4-[(5-fluoro-3-methyl-2-pyridinyl)methoxy]-6-methyl-2-oxo-1-pyridinyl]-5-methyl-2-pyridinyl]-2-(2-hydroxypropan-2-yl)pyrimidin-4-yl]-5-fluoro-2-pyridinyl]methoxy]-3-chloro-1-[2-[6-(2-hydroxypropan-2-yl)-2-pyridinyl]-5-methyl-4-pyridinyl]-6-methylpyridin-2-one (PubChem CID 156868828) has the molecular formula C52H47BrClF2N9O6 and a molecular weight of 1047.36 g/mol. Its IUPAC name is 4-[[3-[6-[4-[3-bromo-4-[(5-fluoro-3-methyl-2-pyridinyl)methoxy]-6-methyl-2-oxo-1-pyridinyl]-5-methyl-2-pyridinyl]-2-(2-hydroxypropan-2-yl)pyrimidin-4-yl]-5-fluoro-2-pyridinyl]methoxy]-3-chloro-1-[2-[6-(2-hydroxypropan-2-yl)-2-pyridinyl]-5-methyl-4-pyridinyl]-6-methylpyridin-2-one.

Molecular Properties

Compound Name4-[[3-[6-[4-[3-bromo-4-[(5-fluoro-3-methyl-2-pyridinyl)methoxy]-6-methyl-2-oxo-1-pyridinyl]-5-methyl-2-pyridinyl]-2-(2-hydroxypropan-2-yl)pyrimidin-4-yl]-5-fluoro-2-pyridinyl]methoxy]-3-chloro-1-[2-[6-(2-hydroxypropan-2-yl)-2-pyridinyl]-5-methyl-4-pyridinyl]-6-methylpyridin-2-one
PubChem CID156868828
Molecular FormulaC52H47BrClF2N9O6
Molecular Weight1047.36 g/mol
Exact Mass1045.25
IUPAC Name4-[[3-[6-[4-[3-bromo-4-[(5-fluoro-3-methyl-2-pyridinyl)methoxy]-6-methyl-2-oxo-1-pyridinyl]-5-methyl-2-pyridinyl]-2-(2-hydroxypropan-2-yl)pyrimidin-4-yl]-5-fluoro-2-pyridinyl]methoxy]-3-chloro-1-[2-[6-(2-hydroxypropan-2-yl)-2-pyridinyl]-5-methyl-4-pyridinyl]-6-methylpyridin-2-one
SMILESCc1cnc(-c2cccc(C(C)(C)O)n2)cc1-n1c(C)cc(OCc2ncc(F)cc2-c2cc(-c3cc(-n4c(C)cc(OCc5ncc(F)cc5C)c(Br)c4=O)c(C)cn3)nc(C(C)(C)O)n2)c(Cl)c1=O
InChIInChI=1S/C52H47BrClF2N9O6/c1-26-13-31(55)22-59-39(26)24-70-43-14-29(4)64(48(66)46(43)53)41-19-37(58-21-27(41)2)38-17-35(62-50(63-38)52(8,9)69)33-16-32(56)23-60-40(33)25-71-44-15-30(5)65(49(67)47(44)54)42-18-36(57-20-28(42)3)34-11-10-12-45(61-34)51(6,7)68/h10-23,68-69H,24-25H2,1-9H3
InChIKeyMRNMYAKNXWZTCW-UHFFFAOYSA-N
XLogP9.60
TPSA193.15 Ų
H-Bond Donors2
H-Bond Acceptors15
Rotatable Bonds13
Heavy Atoms71
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001047.36
LogP ≤ 59.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1015

Analyze 4-[[3-[6-[4-[3-bromo-4-[(5-fluoro-3-methyl-2-pyridinyl)methoxy]-6-methyl-2-oxo-1-pyridinyl]-5-methyl-2-pyridinyl]-2-(2-hydroxypropan-2-yl)pyrimidin-4-yl]-5-fluoro-2-pyridinyl]methoxy]-3-chloro-1-[2-[6-(2-hydroxypropan-2-yl)-2-pyridinyl]-5-methyl-4-pyridinyl]-6-methylpyridin-2-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-[[3-[6-[4-[3-bromo-4-[(5-fluoro-3-methyl-2-pyridinyl)methoxy]-6-methyl-2-oxo-1-pyridinyl]-5-methyl-2-pyridinyl]-2-(2-hydroxypropan-2-yl)pyrimidin-4-yl]-5-fluoro-2-pyridinyl]methoxy]-3-chloro-1-[2-[6-(2-hydroxypropan-2-yl)-2-pyridinyl]-5-methyl-4-pyridinyl]-6-methylpyridin-2-one?
The IUPAC name of 4-[[3-[6-[4-[3-bromo-4-[(5-fluoro-3-methyl-2-pyridinyl)methoxy]-6-methyl-2-oxo-1-pyridinyl]-5-methyl-2-pyridinyl]-2-(2-hydroxypropan-2-yl)pyrimidin-4-yl]-5-fluoro-2-pyridinyl]methoxy]-3-chloro-1-[2-[6-(2-hydroxypropan-2-yl)-2-pyridinyl]-5-methyl-4-pyridinyl]-6-methylpyridin-2-one (CID 156868828) is 4-[[3-[6-[4-[3-bromo-4-[(5-fluoro-3-methyl-2-pyridinyl)methoxy]-6-methyl-2-oxo-1-pyridinyl]-5-methyl-2-pyridinyl]-2-(2-hydroxypropan-2-yl)pyrimidin-4-yl]-5-fluoro-2-pyridinyl]methoxy]-3-chloro-1-[2-[6-(2-hydroxypropan-2-yl)-2-pyridinyl]-5-methyl-4-pyridinyl]-6-methylpyridin-2-one.
What is the SMILES notation for 4-[[3-[6-[4-[3-bromo-4-[(5-fluoro-3-methyl-2-pyridinyl)methoxy]-6-methyl-2-oxo-1-pyridinyl]-5-methyl-2-pyridinyl]-2-(2-hydroxypropan-2-yl)pyrimidin-4-yl]-5-fluoro-2-pyridinyl]methoxy]-3-chloro-1-[2-[6-(2-hydroxypropan-2-yl)-2-pyridinyl]-5-methyl-4-pyridinyl]-6-methylpyridin-2-one?
The canonical SMILES for 4-[[3-[6-[4-[3-bromo-4-[(5-fluoro-3-methyl-2-pyridinyl)methoxy]-6-methyl-2-oxo-1-pyridinyl]-5-methyl-2-pyridinyl]-2-(2-hydroxypropan-2-yl)pyrimidin-4-yl]-5-fluoro-2-pyridinyl]methoxy]-3-chloro-1-[2-[6-(2-hydroxypropan-2-yl)-2-pyridinyl]-5-methyl-4-pyridinyl]-6-methylpyridin-2-one is Cc1cnc(-c2cccc(C(C)(C)O)n2)cc1-n1c(C)cc(OCc2ncc(F)cc2-c2cc(-c3cc(-n4c(C)cc(OCc5ncc(F)cc5C)c(Br)c4=O)c(C)cn3)nc(C(C)(C)O)n2)c(Cl)c1=O.
What is the InChIKey of 4-[[3-[6-[4-[3-bromo-4-[(5-fluoro-3-methyl-2-pyridinyl)methoxy]-6-methyl-2-oxo-1-pyridinyl]-5-methyl-2-pyridinyl]-2-(2-hydroxypropan-2-yl)pyrimidin-4-yl]-5-fluoro-2-pyridinyl]methoxy]-3-chloro-1-[2-[6-(2-hydroxypropan-2-yl)-2-pyridinyl]-5-methyl-4-pyridinyl]-6-methylpyridin-2-one?
The InChIKey is MRNMYAKNXWZTCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H47BrClF2N9O6/c1-26-13-31(55)22-59-39(26)24-70-43-14-29(4)64(48(66)46(43)53)41-19-37(58-21-27(41)2)38-17-35(62-50(63-38)52(8,9)69)33-16-32(56)23-60-40(33)25-71-44-15-30(5)65(49(67)47(44)54)42-18-36(57-20-28(42)3)34-11-10-12-45(61-34)51(6,7)68/h10-23,68-69H,24-25H2,1-9H3.
What are the key properties of 4-[[3-[6-[4-[3-bromo-4-[(5-fluoro-3-methyl-2-pyridinyl)methoxy]-6-methyl-2-oxo-1-pyridinyl]-5-methyl-2-pyridinyl]-2-(2-hydroxypropan-2-yl)pyrimidin-4-yl]-5-fluoro-2-pyridinyl]methoxy]-3-chloro-1-[2-[6-(2-hydroxypropan-2-yl)-2-pyridinyl]-5-methyl-4-pyridinyl]-6-methylpyridin-2-one?
4-[[3-[6-[4-[3-bromo-4-[(5-fluoro-3-methyl-2-pyridinyl)methoxy]-6-methyl-2-oxo-1-pyridinyl]-5-methyl-2-pyridinyl]-2-(2-hydroxypropan-2-yl)pyrimidin-4-yl]-5-fluoro-2-pyridinyl]methoxy]-3-chloro-1-[2-[6-(2-hydroxypropan-2-yl)-2-pyridinyl]-5-methyl-4-pyridinyl]-6-methylpyridin-2-one has a molecular weight of 1047.36 g/mol, XLogP of 9.60, 13 rotatable bonds, 2 hydrogen bond donors, and 15 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[3-[6-[4-[3-bromo-4-[(5-fluoro-3-methyl-2-pyridinyl)methoxy]-6-methyl-2-oxo-1-pyridinyl]-5-methyl-2-pyridinyl]-2-(2-hydroxypropan-2-yl)pyrimidin-4-yl]-5-fluoro-2-pyridinyl]methoxy]-3-chloro-1-[2-[6-(2-hydroxypropan-2-yl)-2-pyridinyl]-5-methyl-4-pyridinyl]-6-methylpyridin-2-one is sourced from PubChem (CID 156868828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).