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

C28H31FN4O3 — CID 42871304

IUPAC1-[4-(4-fluoro-3-methylphenoxy)-2-morpholin-4-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-2-phenylbutan-1-one
SMILESCCC(C(=O)N1CCc2nc(N3CCOCC3)nc(Oc3ccc(F)c(C)c3)c2C1)c1ccccc1
InChIInChI=1S/C28H31FN4O3/c1-3-22(20-7-5-4-6-8-20)27(34)33-12-11-25-23(18-33)26(36-21-9-10-24(29)19(2)17-21)31-28(30-25)32-13-15-35-16-14-32/h4-10,17,22H,3,11-16,18H2,1-2H3
InChIKeyUHZDGKGAAVJXSM-UHFFFAOYSA-N
MW490.58 g/mol
LogP4.63
Rot. Bonds6

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

1-[4-(4-fluoro-3-methylphenoxy)-2-morpholin-4-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-2-phenylbutan-1-one (PubChem CID 42871304) has the molecular formula C28H31FN4O3 and a molecular weight of 490.58 g/mol. Its IUPAC name is 1-[4-(4-fluoro-3-methylphenoxy)-2-morpholin-4-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-2-phenylbutan-1-one.

Molecular Properties

Compound Name1-[4-(4-fluoro-3-methylphenoxy)-2-morpholin-4-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-2-phenylbutan-1-one
PubChem CID42871304
Molecular FormulaC28H31FN4O3
Molecular Weight490.58 g/mol
Exact Mass490.24
IUPAC Name1-[4-(4-fluoro-3-methylphenoxy)-2-morpholin-4-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-2-phenylbutan-1-one
SMILESCCC(C(=O)N1CCc2nc(N3CCOCC3)nc(Oc3ccc(F)c(C)c3)c2C1)c1ccccc1
InChIInChI=1S/C28H31FN4O3/c1-3-22(20-7-5-4-6-8-20)27(34)33-12-11-25-23(18-33)26(36-21-9-10-24(29)19(2)17-21)31-28(30-25)32-13-15-35-16-14-32/h4-10,17,22H,3,11-16,18H2,1-2H3
InChIKeyUHZDGKGAAVJXSM-UHFFFAOYSA-N
XLogP4.63
TPSA67.79 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500490.58
LogP ≤ 54.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 1-[4-(4-fluoro-3-methylphenoxy)-2-morpholin-4-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-2-phenylbutan-1-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 1-[4-(4-fluoro-3-methylphenoxy)-2-morpholin-4-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-2-phenylbutan-1-one?
The IUPAC name of 1-[4-(4-fluoro-3-methylphenoxy)-2-morpholin-4-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-2-phenylbutan-1-one (CID 42871304) is 1-[4-(4-fluoro-3-methylphenoxy)-2-morpholin-4-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-2-phenylbutan-1-one.
What is the SMILES notation for 1-[4-(4-fluoro-3-methylphenoxy)-2-morpholin-4-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-2-phenylbutan-1-one?
The canonical SMILES for 1-[4-(4-fluoro-3-methylphenoxy)-2-morpholin-4-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-2-phenylbutan-1-one is CCC(C(=O)N1CCc2nc(N3CCOCC3)nc(Oc3ccc(F)c(C)c3)c2C1)c1ccccc1.
What is the InChIKey of 1-[4-(4-fluoro-3-methylphenoxy)-2-morpholin-4-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-2-phenylbutan-1-one?
The InChIKey is UHZDGKGAAVJXSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H31FN4O3/c1-3-22(20-7-5-4-6-8-20)27(34)33-12-11-25-23(18-33)26(36-21-9-10-24(29)19(2)17-21)31-28(30-25)32-13-15-35-16-14-32/h4-10,17,22H,3,11-16,18H2,1-2H3.
What are the key properties of 1-[4-(4-fluoro-3-methylphenoxy)-2-morpholin-4-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-2-phenylbutan-1-one?
1-[4-(4-fluoro-3-methylphenoxy)-2-morpholin-4-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-2-phenylbutan-1-one has a molecular weight of 490.58 g/mol, XLogP of 4.63, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(4-fluoro-3-methylphenoxy)-2-morpholin-4-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-2-phenylbutan-1-one is sourced from PubChem (CID 42871304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).