5-(2,4-difluorophenyl)-2,3-dimethyl-7-[(2R)-2-(2-oxo-1H-pyridin-4-yl)morpholin-4-yl]pyrido[4,3-d]pyrimidin-4-one

C24H21F2N5O3 — CID 170182279

IUPAC5-(2,4-difluorophenyl)-2,3-dimethyl-7-[(2R)-2-(2-oxo-1H-pyridin-4-yl)morpholin-4-yl]pyrido[4,3-d]pyrimidin-4-one
SMILESCc1nc2cc(N3CCO[C@H](c4cc[nH]c(=O)c4)C3)nc(-c3ccc(F)cc3F)c2c(=O)n1C
InChIInChI=1S/C24H21F2N5O3/c1-13-28-18-11-20(31-7-8-34-19(12-31)14-5-6-27-21(32)9-14)29-23(22(18)24(33)30(13)2)16-4-3-15(25)10-17(16)26/h3-6,9-11,19H,7-8,12H2,1-2H3,(H,27,32)/t19-/m0/s1
InChIKeyIGKDQMIEIWZDMQ-IBGZPJMESA-N
MW465.46 g/mol
LogP2.85
Rot. Bonds3

About 5-(2,4-difluorophenyl)-2,3-dimethyl-7-[(2R)-2-(2-oxo-1H-pyridin-4-yl)morpholin-4-yl]pyrido[4,3-d]pyrimidin-4-one

5-(2,4-difluorophenyl)-2,3-dimethyl-7-[(2R)-2-(2-oxo-1H-pyridin-4-yl)morpholin-4-yl]pyrido[4,3-d]pyrimidin-4-one (PubChem CID 170182279) has the molecular formula C24H21F2N5O3 and a molecular weight of 465.46 g/mol. Its IUPAC name is 5-(2,4-difluorophenyl)-2,3-dimethyl-7-[(2R)-2-(2-oxo-1H-pyridin-4-yl)morpholin-4-yl]pyrido[4,3-d]pyrimidin-4-one.

Molecular Properties

Compound Name5-(2,4-difluorophenyl)-2,3-dimethyl-7-[(2R)-2-(2-oxo-1H-pyridin-4-yl)morpholin-4-yl]pyrido[4,3-d]pyrimidin-4-one
PubChem CID170182279
Molecular FormulaC24H21F2N5O3
Molecular Weight465.46 g/mol
Exact Mass465.16
IUPAC Name5-(2,4-difluorophenyl)-2,3-dimethyl-7-[(2R)-2-(2-oxo-1H-pyridin-4-yl)morpholin-4-yl]pyrido[4,3-d]pyrimidin-4-one
SMILESCc1nc2cc(N3CCO[C@H](c4cc[nH]c(=O)c4)C3)nc(-c3ccc(F)cc3F)c2c(=O)n1C
InChIInChI=1S/C24H21F2N5O3/c1-13-28-18-11-20(31-7-8-34-19(12-31)14-5-6-27-21(32)9-14)29-23(22(18)24(33)30(13)2)16-4-3-15(25)10-17(16)26/h3-6,9-11,19H,7-8,12H2,1-2H3,(H,27,32)/t19-/m0/s1
InChIKeyIGKDQMIEIWZDMQ-IBGZPJMESA-N
XLogP2.85
TPSA93.11 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500465.46
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 5-(2,4-difluorophenyl)-2,3-dimethyl-7-[(2R)-2-(2-oxo-1H-pyridin-4-yl)morpholin-4-yl]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 5-(2,4-difluorophenyl)-2,3-dimethyl-7-[(2R)-2-(2-oxo-1H-pyridin-4-yl)morpholin-4-yl]pyrido[4,3-d]pyrimidin-4-one?
The IUPAC name of 5-(2,4-difluorophenyl)-2,3-dimethyl-7-[(2R)-2-(2-oxo-1H-pyridin-4-yl)morpholin-4-yl]pyrido[4,3-d]pyrimidin-4-one (CID 170182279) is 5-(2,4-difluorophenyl)-2,3-dimethyl-7-[(2R)-2-(2-oxo-1H-pyridin-4-yl)morpholin-4-yl]pyrido[4,3-d]pyrimidin-4-one.
What is the SMILES notation for 5-(2,4-difluorophenyl)-2,3-dimethyl-7-[(2R)-2-(2-oxo-1H-pyridin-4-yl)morpholin-4-yl]pyrido[4,3-d]pyrimidin-4-one?
The canonical SMILES for 5-(2,4-difluorophenyl)-2,3-dimethyl-7-[(2R)-2-(2-oxo-1H-pyridin-4-yl)morpholin-4-yl]pyrido[4,3-d]pyrimidin-4-one is Cc1nc2cc(N3CCO[C@H](c4cc[nH]c(=O)c4)C3)nc(-c3ccc(F)cc3F)c2c(=O)n1C.
What is the InChIKey of 5-(2,4-difluorophenyl)-2,3-dimethyl-7-[(2R)-2-(2-oxo-1H-pyridin-4-yl)morpholin-4-yl]pyrido[4,3-d]pyrimidin-4-one?
The InChIKey is IGKDQMIEIWZDMQ-IBGZPJMESA-N. The full InChI is InChI=1S/C24H21F2N5O3/c1-13-28-18-11-20(31-7-8-34-19(12-31)14-5-6-27-21(32)9-14)29-23(22(18)24(33)30(13)2)16-4-3-15(25)10-17(16)26/h3-6,9-11,19H,7-8,12H2,1-2H3,(H,27,32)/t19-/m0/s1.
What are the key properties of 5-(2,4-difluorophenyl)-2,3-dimethyl-7-[(2R)-2-(2-oxo-1H-pyridin-4-yl)morpholin-4-yl]pyrido[4,3-d]pyrimidin-4-one?
5-(2,4-difluorophenyl)-2,3-dimethyl-7-[(2R)-2-(2-oxo-1H-pyridin-4-yl)morpholin-4-yl]pyrido[4,3-d]pyrimidin-4-one has a molecular weight of 465.46 g/mol, XLogP of 2.85, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,4-difluorophenyl)-2,3-dimethyl-7-[(2R)-2-(2-oxo-1H-pyridin-4-yl)morpholin-4-yl]pyrido[4,3-d]pyrimidin-4-one is sourced from PubChem (CID 170182279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).