4-[2-[3-[[2-(3-methoxyanilino)-6-(2-methoxy-4-pyridinyl)pyrimidin-4-yl]methoxy]anilino]pyrimidin-4-yl]-1H-pyridin-2-one

C33H28N8O4 — CID 174198941

IUPAC4-[2-[3-[[2-(3-methoxyanilino)-6-(2-methoxy-4-pyridinyl)pyrimidin-4-yl]methoxy]anilino]pyrimidin-4-yl]-1H-pyridin-2-one
SMILESCOc1cccc(Nc2nc(COc3cccc(Nc4nccc(-c5cc[nH]c(=O)c5)n4)c3)cc(-c3ccnc(OC)c3)n2)c1
InChIInChI=1S/C33H28N8O4/c1-43-26-7-3-5-23(17-26)38-33-39-25(19-29(41-33)22-10-13-35-31(16-22)44-2)20-45-27-8-4-6-24(18-27)37-32-36-14-11-28(40-32)21-9-12-34-30(42)15-21/h3-19H,20H2,1-2H3,(H,34,42)(H,36,37,40)(H,38,39,41)
InChIKeyDPCKROHVZIBQBM-UHFFFAOYSA-N
MW600.64 g/mol
LogP5.77
Rot. Bonds11

About 4-[2-[3-[[2-(3-methoxyanilino)-6-(2-methoxy-4-pyridinyl)pyrimidin-4-yl]methoxy]anilino]pyrimidin-4-yl]-1H-pyridin-2-one

4-[2-[3-[[2-(3-methoxyanilino)-6-(2-methoxy-4-pyridinyl)pyrimidin-4-yl]methoxy]anilino]pyrimidin-4-yl]-1H-pyridin-2-one (PubChem CID 174198941) has the molecular formula C33H28N8O4 and a molecular weight of 600.64 g/mol. Its IUPAC name is 4-[2-[3-[[2-(3-methoxyanilino)-6-(2-methoxy-4-pyridinyl)pyrimidin-4-yl]methoxy]anilino]pyrimidin-4-yl]-1H-pyridin-2-one.

Molecular Properties

Compound Name4-[2-[3-[[2-(3-methoxyanilino)-6-(2-methoxy-4-pyridinyl)pyrimidin-4-yl]methoxy]anilino]pyrimidin-4-yl]-1H-pyridin-2-one
PubChem CID174198941
Molecular FormulaC33H28N8O4
Molecular Weight600.64 g/mol
Exact Mass600.22
IUPAC Name4-[2-[3-[[2-(3-methoxyanilino)-6-(2-methoxy-4-pyridinyl)pyrimidin-4-yl]methoxy]anilino]pyrimidin-4-yl]-1H-pyridin-2-one
SMILESCOc1cccc(Nc2nc(COc3cccc(Nc4nccc(-c5cc[nH]c(=O)c5)n4)c3)cc(-c3ccnc(OC)c3)n2)c1
InChIInChI=1S/C33H28N8O4/c1-43-26-7-3-5-23(17-26)38-33-39-25(19-29(41-33)22-10-13-35-31(16-22)44-2)20-45-27-8-4-6-24(18-27)37-32-36-14-11-28(40-32)21-9-12-34-30(42)15-21/h3-19H,20H2,1-2H3,(H,34,42)(H,36,37,40)(H,38,39,41)
InChIKeyDPCKROHVZIBQBM-UHFFFAOYSA-N
XLogP5.77
TPSA149.06 Ų
H-Bond Donors3
H-Bond Acceptors11
Rotatable Bonds11
Heavy Atoms45
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500600.64
LogP ≤ 55.77
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1011

Analyze 4-[2-[3-[[2-(3-methoxyanilino)-6-(2-methoxy-4-pyridinyl)pyrimidin-4-yl]methoxy]anilino]pyrimidin-4-yl]-1H-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 4-[2-[3-[[2-(3-methoxyanilino)-6-(2-methoxy-4-pyridinyl)pyrimidin-4-yl]methoxy]anilino]pyrimidin-4-yl]-1H-pyridin-2-one?
The IUPAC name of 4-[2-[3-[[2-(3-methoxyanilino)-6-(2-methoxy-4-pyridinyl)pyrimidin-4-yl]methoxy]anilino]pyrimidin-4-yl]-1H-pyridin-2-one (CID 174198941) is 4-[2-[3-[[2-(3-methoxyanilino)-6-(2-methoxy-4-pyridinyl)pyrimidin-4-yl]methoxy]anilino]pyrimidin-4-yl]-1H-pyridin-2-one.
What is the SMILES notation for 4-[2-[3-[[2-(3-methoxyanilino)-6-(2-methoxy-4-pyridinyl)pyrimidin-4-yl]methoxy]anilino]pyrimidin-4-yl]-1H-pyridin-2-one?
The canonical SMILES for 4-[2-[3-[[2-(3-methoxyanilino)-6-(2-methoxy-4-pyridinyl)pyrimidin-4-yl]methoxy]anilino]pyrimidin-4-yl]-1H-pyridin-2-one is COc1cccc(Nc2nc(COc3cccc(Nc4nccc(-c5cc[nH]c(=O)c5)n4)c3)cc(-c3ccnc(OC)c3)n2)c1.
What is the InChIKey of 4-[2-[3-[[2-(3-methoxyanilino)-6-(2-methoxy-4-pyridinyl)pyrimidin-4-yl]methoxy]anilino]pyrimidin-4-yl]-1H-pyridin-2-one?
The InChIKey is DPCKROHVZIBQBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H28N8O4/c1-43-26-7-3-5-23(17-26)38-33-39-25(19-29(41-33)22-10-13-35-31(16-22)44-2)20-45-27-8-4-6-24(18-27)37-32-36-14-11-28(40-32)21-9-12-34-30(42)15-21/h3-19H,20H2,1-2H3,(H,34,42)(H,36,37,40)(H,38,39,41).
What are the key properties of 4-[2-[3-[[2-(3-methoxyanilino)-6-(2-methoxy-4-pyridinyl)pyrimidin-4-yl]methoxy]anilino]pyrimidin-4-yl]-1H-pyridin-2-one?
4-[2-[3-[[2-(3-methoxyanilino)-6-(2-methoxy-4-pyridinyl)pyrimidin-4-yl]methoxy]anilino]pyrimidin-4-yl]-1H-pyridin-2-one has a molecular weight of 600.64 g/mol, XLogP of 5.77, 11 rotatable bonds, 3 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[3-[[2-(3-methoxyanilino)-6-(2-methoxy-4-pyridinyl)pyrimidin-4-yl]methoxy]anilino]pyrimidin-4-yl]-1H-pyridin-2-one is sourced from PubChem (CID 174198941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).