3-bromo-1-[2-[2-(2-hydroxypropan-2-yl)pyrimidin-4-yl]-5-methyl-4-pyridinyl]-6-methyl-4-[(1-methylpyrazol-3-yl)methoxy]pyridin-2-one

C24H25BrN6O3 — CID 57406177

IUPAC3-bromo-1-[2-[2-(2-hydroxypropan-2-yl)pyrimidin-4-yl]-5-methyl-4-pyridinyl]-6-methyl-4-[(1-methylpyrazol-3-yl)methoxy]pyridin-2-one
SMILESCc1cnc(-c2ccnc(C(C)(C)O)n2)cc1-n1c(C)cc(OCc2ccn(C)n2)c(Br)c1=O
InChIInChI=1S/C24H25BrN6O3/c1-14-12-27-18(17-6-8-26-23(28-17)24(3,4)33)11-19(14)31-15(2)10-20(21(25)22(31)32)34-13-16-7-9-30(5)29-16/h6-12,33H,13H2,1-5H3
InChIKeyZVDJJGFYZOYIMU-UHFFFAOYSA-N
MW525.41 g/mol
LogP3.61
Rot. Bonds6

About 3-bromo-1-[2-[2-(2-hydroxypropan-2-yl)pyrimidin-4-yl]-5-methyl-4-pyridinyl]-6-methyl-4-[(1-methylpyrazol-3-yl)methoxy]pyridin-2-one

3-bromo-1-[2-[2-(2-hydroxypropan-2-yl)pyrimidin-4-yl]-5-methyl-4-pyridinyl]-6-methyl-4-[(1-methylpyrazol-3-yl)methoxy]pyridin-2-one (PubChem CID 57406177) has the molecular formula C24H25BrN6O3 and a molecular weight of 525.41 g/mol. Its IUPAC name is 3-bromo-1-[2-[2-(2-hydroxypropan-2-yl)pyrimidin-4-yl]-5-methyl-4-pyridinyl]-6-methyl-4-[(1-methylpyrazol-3-yl)methoxy]pyridin-2-one.

Molecular Properties

Compound Name3-bromo-1-[2-[2-(2-hydroxypropan-2-yl)pyrimidin-4-yl]-5-methyl-4-pyridinyl]-6-methyl-4-[(1-methylpyrazol-3-yl)methoxy]pyridin-2-one
PubChem CID57406177
Molecular FormulaC24H25BrN6O3
Molecular Weight525.41 g/mol
Exact Mass524.12
IUPAC Name3-bromo-1-[2-[2-(2-hydroxypropan-2-yl)pyrimidin-4-yl]-5-methyl-4-pyridinyl]-6-methyl-4-[(1-methylpyrazol-3-yl)methoxy]pyridin-2-one
SMILESCc1cnc(-c2ccnc(C(C)(C)O)n2)cc1-n1c(C)cc(OCc2ccn(C)n2)c(Br)c1=O
InChIInChI=1S/C24H25BrN6O3/c1-14-12-27-18(17-6-8-26-23(28-17)24(3,4)33)11-19(14)31-15(2)10-20(21(25)22(31)32)34-13-16-7-9-30(5)29-16/h6-12,33H,13H2,1-5H3
InChIKeyZVDJJGFYZOYIMU-UHFFFAOYSA-N
XLogP3.61
TPSA107.95 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500525.41
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze 3-bromo-1-[2-[2-(2-hydroxypropan-2-yl)pyrimidin-4-yl]-5-methyl-4-pyridinyl]-6-methyl-4-[(1-methylpyrazol-3-yl)methoxy]pyridin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-bromo-1-[2-[2-(2-hydroxypropan-2-yl)pyrimidin-4-yl]-5-methyl-4-pyridinyl]-6-methyl-4-[(1-methylpyrazol-3-yl)methoxy]pyridin-2-one?
The IUPAC name of 3-bromo-1-[2-[2-(2-hydroxypropan-2-yl)pyrimidin-4-yl]-5-methyl-4-pyridinyl]-6-methyl-4-[(1-methylpyrazol-3-yl)methoxy]pyridin-2-one (CID 57406177) is 3-bromo-1-[2-[2-(2-hydroxypropan-2-yl)pyrimidin-4-yl]-5-methyl-4-pyridinyl]-6-methyl-4-[(1-methylpyrazol-3-yl)methoxy]pyridin-2-one.
What is the SMILES notation for 3-bromo-1-[2-[2-(2-hydroxypropan-2-yl)pyrimidin-4-yl]-5-methyl-4-pyridinyl]-6-methyl-4-[(1-methylpyrazol-3-yl)methoxy]pyridin-2-one?
The canonical SMILES for 3-bromo-1-[2-[2-(2-hydroxypropan-2-yl)pyrimidin-4-yl]-5-methyl-4-pyridinyl]-6-methyl-4-[(1-methylpyrazol-3-yl)methoxy]pyridin-2-one is Cc1cnc(-c2ccnc(C(C)(C)O)n2)cc1-n1c(C)cc(OCc2ccn(C)n2)c(Br)c1=O.
What is the InChIKey of 3-bromo-1-[2-[2-(2-hydroxypropan-2-yl)pyrimidin-4-yl]-5-methyl-4-pyridinyl]-6-methyl-4-[(1-methylpyrazol-3-yl)methoxy]pyridin-2-one?
The InChIKey is ZVDJJGFYZOYIMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25BrN6O3/c1-14-12-27-18(17-6-8-26-23(28-17)24(3,4)33)11-19(14)31-15(2)10-20(21(25)22(31)32)34-13-16-7-9-30(5)29-16/h6-12,33H,13H2,1-5H3.
What are the key properties of 3-bromo-1-[2-[2-(2-hydroxypropan-2-yl)pyrimidin-4-yl]-5-methyl-4-pyridinyl]-6-methyl-4-[(1-methylpyrazol-3-yl)methoxy]pyridin-2-one?
3-bromo-1-[2-[2-(2-hydroxypropan-2-yl)pyrimidin-4-yl]-5-methyl-4-pyridinyl]-6-methyl-4-[(1-methylpyrazol-3-yl)methoxy]pyridin-2-one has a molecular weight of 525.41 g/mol, XLogP of 3.61, 6 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-1-[2-[2-(2-hydroxypropan-2-yl)pyrimidin-4-yl]-5-methyl-4-pyridinyl]-6-methyl-4-[(1-methylpyrazol-3-yl)methoxy]pyridin-2-one is sourced from PubChem (CID 57406177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).