4-amino-5-(2,6-difluoro-4-methoxyphenyl)-2-morpholin-4-yl-6,8-dihydro-5H-pyrido[2,3-d]pyrimidin-7-one

C18H19F2N5O3 — CID 171911581

IUPAC4-amino-5-(2,6-difluoro-4-methoxyphenyl)-2-morpholin-4-yl-6,8-dihydro-5H-pyrido[2,3-d]pyrimidin-7-one
SMILESCOc1cc(F)c(C2CC(=O)Nc3nc(N4CCOCC4)nc(N)c32)c(F)c1
InChIInChI=1S/C18H19F2N5O3/c1-27-9-6-11(19)14(12(20)7-9)10-8-13(26)22-17-15(10)16(21)23-18(24-17)25-2-4-28-5-3-25/h6-7,10H,2-5,8H2,1H3,(H3,21,22,23,24,26)
InChIKeyNJZIMMORXAMZDM-UHFFFAOYSA-N
MW391.38 g/mol
LogP1.66
Rot. Bonds3

About 4-amino-5-(2,6-difluoro-4-methoxyphenyl)-2-morpholin-4-yl-6,8-dihydro-5H-pyrido[2,3-d]pyrimidin-7-one

4-amino-5-(2,6-difluoro-4-methoxyphenyl)-2-morpholin-4-yl-6,8-dihydro-5H-pyrido[2,3-d]pyrimidin-7-one (PubChem CID 171911581) has the molecular formula C18H19F2N5O3 and a molecular weight of 391.38 g/mol. Its IUPAC name is 4-amino-5-(2,6-difluoro-4-methoxyphenyl)-2-morpholin-4-yl-6,8-dihydro-5H-pyrido[2,3-d]pyrimidin-7-one.

Molecular Properties

Compound Name4-amino-5-(2,6-difluoro-4-methoxyphenyl)-2-morpholin-4-yl-6,8-dihydro-5H-pyrido[2,3-d]pyrimidin-7-one
PubChem CID171911581
Molecular FormulaC18H19F2N5O3
Molecular Weight391.38 g/mol
Exact Mass391.15
IUPAC Name4-amino-5-(2,6-difluoro-4-methoxyphenyl)-2-morpholin-4-yl-6,8-dihydro-5H-pyrido[2,3-d]pyrimidin-7-one
SMILESCOc1cc(F)c(C2CC(=O)Nc3nc(N4CCOCC4)nc(N)c32)c(F)c1
InChIInChI=1S/C18H19F2N5O3/c1-27-9-6-11(19)14(12(20)7-9)10-8-13(26)22-17-15(10)16(21)23-18(24-17)25-2-4-28-5-3-25/h6-7,10H,2-5,8H2,1H3,(H3,21,22,23,24,26)
InChIKeyNJZIMMORXAMZDM-UHFFFAOYSA-N
XLogP1.66
TPSA102.60 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.38
LogP ≤ 51.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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

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Related Compounds

4-amino-5-(5-methyl-1H-imidazol-4-yl)-2-morpholin-4-yl-6,8-dihydro-5H-pyrido[2,3-d]pyrimidin-7-one
CID 169420578
(5R)-4-amino-5-(5-ethylfuran-2-yl)-2-morpholin-4-yl-6,8-dihydro-5H-pyrido[2,3-d]pyrimidin-7-one
CID 95125377
4-amino-5-(8-methoxy-2H-chromen-3-yl)-2-morpholin-4-yl-6,8-dihydro-5H-pyrido[2,3-d]pyrimidin-7-one
CID 170505925
4-amino-N-(2-fluoro-4-methylphenyl)-2-morpholin-4-yl-7-oxo-6,8-dihydro-5H-pyrido[2,3-d]pyrimidine-5-carboxamide
CID 43853903
4-amino-N-(5-chloro-2-methylphenyl)-2-morpholin-4-yl-7-oxo-6,8-dihydro-5H-pyrido[2,3-d]pyrimidine-5-carboxamide
CID 17228965
(5R)-4-amino-N-(4-methyl-3-nitrophenyl)-2-morpholin-4-yl-7-oxo-6,8-dihydro-5H-pyrido[2,3-d]pyrimidine-5-carboxamide
CID 28503982
(5S)-4-amino-5-(4-fluorophenyl)-8,8-dimethyl-2-morpholin-4-yl-5,7,9,10-tetrahydropyrimido[4,5-b]quinolin-6-one
CID 29109950
dimethyl 5-[(4-amino-7-oxo-2-piperidin-1-yl-6,8-dihydro-5H-pyrido[2,3-d]pyrimidine-5-carbonyl)amino]benzene-1,3-dicarboxylate
CID 17036181
(5R)-4-amino-5-(2,4-dichlorophenyl)-2-morpholin-4-yl-7,8,9,10-tetrahydro-5H-pyrimido[4,5-b]quinolin-6-one
CID 29102236
4-amino-2-morpholin-4-yl-5-phenyl-7,8,9,10-tetrahydro-5H-pyrimido[4,5-b]quinolin-6-one
CID 17198450
(5R)-4-amino-N-(3-fluorophenyl)-7-oxo-2-pyrrolidin-1-yl-6,8-dihydro-5H-pyrido[2,3-d]pyrimidine-5-carboxamide
CID 28504026
(5S)-5-(2,5-dimethylphenyl)-2-morpholin-4-yl-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-4,7-dione
CID 137222356

Frequently Asked Questions

What is the IUPAC name of 4-amino-5-(2,6-difluoro-4-methoxyphenyl)-2-morpholin-4-yl-6,8-dihydro-5H-pyrido[2,3-d]pyrimidin-7-one?
The IUPAC name of 4-amino-5-(2,6-difluoro-4-methoxyphenyl)-2-morpholin-4-yl-6,8-dihydro-5H-pyrido[2,3-d]pyrimidin-7-one (CID 171911581) is 4-amino-5-(2,6-difluoro-4-methoxyphenyl)-2-morpholin-4-yl-6,8-dihydro-5H-pyrido[2,3-d]pyrimidin-7-one.
What is the SMILES notation for 4-amino-5-(2,6-difluoro-4-methoxyphenyl)-2-morpholin-4-yl-6,8-dihydro-5H-pyrido[2,3-d]pyrimidin-7-one?
The canonical SMILES for 4-amino-5-(2,6-difluoro-4-methoxyphenyl)-2-morpholin-4-yl-6,8-dihydro-5H-pyrido[2,3-d]pyrimidin-7-one is COc1cc(F)c(C2CC(=O)Nc3nc(N4CCOCC4)nc(N)c32)c(F)c1.
What is the InChIKey of 4-amino-5-(2,6-difluoro-4-methoxyphenyl)-2-morpholin-4-yl-6,8-dihydro-5H-pyrido[2,3-d]pyrimidin-7-one?
The InChIKey is NJZIMMORXAMZDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19F2N5O3/c1-27-9-6-11(19)14(12(20)7-9)10-8-13(26)22-17-15(10)16(21)23-18(24-17)25-2-4-28-5-3-25/h6-7,10H,2-5,8H2,1H3,(H3,21,22,23,24,26).
What are the key properties of 4-amino-5-(2,6-difluoro-4-methoxyphenyl)-2-morpholin-4-yl-6,8-dihydro-5H-pyrido[2,3-d]pyrimidin-7-one?
4-amino-5-(2,6-difluoro-4-methoxyphenyl)-2-morpholin-4-yl-6,8-dihydro-5H-pyrido[2,3-d]pyrimidin-7-one has a molecular weight of 391.38 g/mol, XLogP of 1.66, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-5-(2,6-difluoro-4-methoxyphenyl)-2-morpholin-4-yl-6,8-dihydro-5H-pyrido[2,3-d]pyrimidin-7-one is sourced from PubChem (CID 171911581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).