3-methyl-5,7-bis(4-morpholin-4-ylphenyl)pyrido[4,3-d]pyrimidin-4-one

C28H29N5O3 — CID 66959982

IUPAC3-methyl-5,7-bis(4-morpholin-4-ylphenyl)pyrido[4,3-d]pyrimidin-4-one
SMILESCn1cnc2cc(-c3ccc(N4CCOCC4)cc3)nc(-c3ccc(N4CCOCC4)cc3)c2c1=O
InChIInChI=1S/C28H29N5O3/c1-31-19-29-25-18-24(20-2-6-22(7-3-20)32-10-14-35-15-11-32)30-27(26(25)28(31)34)21-4-8-23(9-5-21)33-12-16-36-17-13-33/h2-9,18-19H,10-17H2,1H3
InChIKeyPUUXWHIPRVWSFH-UHFFFAOYSA-N
MW483.57 g/mol
LogP3.34
Rot. Bonds4

About 3-methyl-5,7-bis(4-morpholin-4-ylphenyl)pyrido[4,3-d]pyrimidin-4-one

3-methyl-5,7-bis(4-morpholin-4-ylphenyl)pyrido[4,3-d]pyrimidin-4-one (PubChem CID 66959982) has the molecular formula C28H29N5O3 and a molecular weight of 483.57 g/mol. Its IUPAC name is 3-methyl-5,7-bis(4-morpholin-4-ylphenyl)pyrido[4,3-d]pyrimidin-4-one.

Molecular Properties

Compound Name3-methyl-5,7-bis(4-morpholin-4-ylphenyl)pyrido[4,3-d]pyrimidin-4-one
PubChem CID66959982
Molecular FormulaC28H29N5O3
Molecular Weight483.57 g/mol
Exact Mass483.23
IUPAC Name3-methyl-5,7-bis(4-morpholin-4-ylphenyl)pyrido[4,3-d]pyrimidin-4-one
SMILESCn1cnc2cc(-c3ccc(N4CCOCC4)cc3)nc(-c3ccc(N4CCOCC4)cc3)c2c1=O
InChIInChI=1S/C28H29N5O3/c1-31-19-29-25-18-24(20-2-6-22(7-3-20)32-10-14-35-15-11-32)30-27(26(25)28(31)34)21-4-8-23(9-5-21)33-12-16-36-17-13-33/h2-9,18-19H,10-17H2,1H3
InChIKeyPUUXWHIPRVWSFH-UHFFFAOYSA-N
XLogP3.34
TPSA72.72 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500483.57
LogP ≤ 53.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 3-methyl-5,7-bis(4-morpholin-4-ylphenyl)pyrido[4,3-d]pyrimidin-4-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-methyl-5,7-bis(4-morpholin-4-ylphenyl)pyrido[4,3-d]pyrimidin-4-one?
The IUPAC name of 3-methyl-5,7-bis(4-morpholin-4-ylphenyl)pyrido[4,3-d]pyrimidin-4-one (CID 66959982) is 3-methyl-5,7-bis(4-morpholin-4-ylphenyl)pyrido[4,3-d]pyrimidin-4-one.
What is the SMILES notation for 3-methyl-5,7-bis(4-morpholin-4-ylphenyl)pyrido[4,3-d]pyrimidin-4-one?
The canonical SMILES for 3-methyl-5,7-bis(4-morpholin-4-ylphenyl)pyrido[4,3-d]pyrimidin-4-one is Cn1cnc2cc(-c3ccc(N4CCOCC4)cc3)nc(-c3ccc(N4CCOCC4)cc3)c2c1=O.
What is the InChIKey of 3-methyl-5,7-bis(4-morpholin-4-ylphenyl)pyrido[4,3-d]pyrimidin-4-one?
The InChIKey is PUUXWHIPRVWSFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H29N5O3/c1-31-19-29-25-18-24(20-2-6-22(7-3-20)32-10-14-35-15-11-32)30-27(26(25)28(31)34)21-4-8-23(9-5-21)33-12-16-36-17-13-33/h2-9,18-19H,10-17H2,1H3.
What are the key properties of 3-methyl-5,7-bis(4-morpholin-4-ylphenyl)pyrido[4,3-d]pyrimidin-4-one?
3-methyl-5,7-bis(4-morpholin-4-ylphenyl)pyrido[4,3-d]pyrimidin-4-one has a molecular weight of 483.57 g/mol, XLogP of 3.34, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-5,7-bis(4-morpholin-4-ylphenyl)pyrido[4,3-d]pyrimidin-4-one is sourced from PubChem (CID 66959982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).