6-[4-(4-morpholin-4-yl-7-pyrimidin-2-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-2-yl)anilino]-1H-pyridin-2-one

C26H26N8O2 — CID 44814563

IUPAC6-[4-(4-morpholin-4-yl-7-pyrimidin-2-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-2-yl)anilino]-1H-pyridin-2-one
SMILESO=c1cccc(Nc2ccc(-c3nc4c(c(N5CCOCC5)n3)CCN(c3ncccn3)C4)cc2)[nH]1
InChIInChI=1S/C26H26N8O2/c35-23-4-1-3-22(31-23)29-19-7-5-18(6-8-19)24-30-21-17-34(26-27-10-2-11-28-26)12-9-20(21)25(32-24)33-13-15-36-16-14-33/h1-8,10-11H,9,12-17H2,(H2,29,31,35)
InChIKeyAXXCVYSHHQEWSA-UHFFFAOYSA-N
MW482.55 g/mol
LogP2.76
Rot. Bonds5

About 6-[4-(4-morpholin-4-yl-7-pyrimidin-2-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-2-yl)anilino]-1H-pyridin-2-one

6-[4-(4-morpholin-4-yl-7-pyrimidin-2-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-2-yl)anilino]-1H-pyridin-2-one (PubChem CID 44814563) has the molecular formula C26H26N8O2 and a molecular weight of 482.55 g/mol. Its IUPAC name is 6-[4-(4-morpholin-4-yl-7-pyrimidin-2-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-2-yl)anilino]-1H-pyridin-2-one.

Molecular Properties

Compound Name6-[4-(4-morpholin-4-yl-7-pyrimidin-2-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-2-yl)anilino]-1H-pyridin-2-one
PubChem CID44814563
Molecular FormulaC26H26N8O2
Molecular Weight482.55 g/mol
Exact Mass482.22
IUPAC Name6-[4-(4-morpholin-4-yl-7-pyrimidin-2-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-2-yl)anilino]-1H-pyridin-2-one
SMILESO=c1cccc(Nc2ccc(-c3nc4c(c(N5CCOCC5)n3)CCN(c3ncccn3)C4)cc2)[nH]1
InChIInChI=1S/C26H26N8O2/c35-23-4-1-3-22(31-23)29-19-7-5-18(6-8-19)24-30-21-17-34(26-27-10-2-11-28-26)12-9-20(21)25(32-24)33-13-15-36-16-14-33/h1-8,10-11H,9,12-17H2,(H2,29,31,35)
InChIKeyAXXCVYSHHQEWSA-UHFFFAOYSA-N
XLogP2.76
TPSA112.16 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500482.55
LogP ≤ 52.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Analyze 6-[4-(4-morpholin-4-yl-7-pyrimidin-2-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-2-yl)anilino]-1H-pyridin-2-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 6-[4-(4-morpholin-4-yl-7-pyrimidin-2-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-2-yl)anilino]-1H-pyridin-2-one?
The IUPAC name of 6-[4-(4-morpholin-4-yl-7-pyrimidin-2-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-2-yl)anilino]-1H-pyridin-2-one (CID 44814563) is 6-[4-(4-morpholin-4-yl-7-pyrimidin-2-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-2-yl)anilino]-1H-pyridin-2-one.
What is the SMILES notation for 6-[4-(4-morpholin-4-yl-7-pyrimidin-2-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-2-yl)anilino]-1H-pyridin-2-one?
The canonical SMILES for 6-[4-(4-morpholin-4-yl-7-pyrimidin-2-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-2-yl)anilino]-1H-pyridin-2-one is O=c1cccc(Nc2ccc(-c3nc4c(c(N5CCOCC5)n3)CCN(c3ncccn3)C4)cc2)[nH]1.
What is the InChIKey of 6-[4-(4-morpholin-4-yl-7-pyrimidin-2-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-2-yl)anilino]-1H-pyridin-2-one?
The InChIKey is AXXCVYSHHQEWSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26N8O2/c35-23-4-1-3-22(31-23)29-19-7-5-18(6-8-19)24-30-21-17-34(26-27-10-2-11-28-26)12-9-20(21)25(32-24)33-13-15-36-16-14-33/h1-8,10-11H,9,12-17H2,(H2,29,31,35).
What are the key properties of 6-[4-(4-morpholin-4-yl-7-pyrimidin-2-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-2-yl)anilino]-1H-pyridin-2-one?
6-[4-(4-morpholin-4-yl-7-pyrimidin-2-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-2-yl)anilino]-1H-pyridin-2-one has a molecular weight of 482.55 g/mol, XLogP of 2.76, 5 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-(4-morpholin-4-yl-7-pyrimidin-2-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-2-yl)anilino]-1H-pyridin-2-one is sourced from PubChem (CID 44814563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).