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

C21H23N5O4 — CID 170505925

IUPAC4-amino-5-(8-methoxy-2H-chromen-3-yl)-2-morpholin-4-yl-6,8-dihydro-5H-pyrido[2,3-d]pyrimidin-7-one
SMILESCOc1cccc2c1OCC(C1CC(=O)Nc3nc(N4CCOCC4)nc(N)c31)=C2
InChIInChI=1S/C21H23N5O4/c1-28-15-4-2-3-12-9-13(11-30-18(12)15)14-10-16(27)23-20-17(14)19(22)24-21(25-20)26-5-7-29-8-6-26/h2-4,9,14H,5-8,10-11H2,1H3,(H3,22,23,24,25,27)
InChIKeyULFDOJHLCFNTSX-UHFFFAOYSA-N
MW409.45 g/mol
LogP1.81
Rot. Bonds3

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

4-amino-5-(8-methoxy-2H-chromen-3-yl)-2-morpholin-4-yl-6,8-dihydro-5H-pyrido[2,3-d]pyrimidin-7-one (PubChem CID 170505925) has the molecular formula C21H23N5O4 and a molecular weight of 409.45 g/mol. Its IUPAC name is 4-amino-5-(8-methoxy-2H-chromen-3-yl)-2-morpholin-4-yl-6,8-dihydro-5H-pyrido[2,3-d]pyrimidin-7-one.

Molecular Properties

Compound Name4-amino-5-(8-methoxy-2H-chromen-3-yl)-2-morpholin-4-yl-6,8-dihydro-5H-pyrido[2,3-d]pyrimidin-7-one
PubChem CID170505925
Molecular FormulaC21H23N5O4
Molecular Weight409.45 g/mol
Exact Mass409.18
IUPAC Name4-amino-5-(8-methoxy-2H-chromen-3-yl)-2-morpholin-4-yl-6,8-dihydro-5H-pyrido[2,3-d]pyrimidin-7-one
SMILESCOc1cccc2c1OCC(C1CC(=O)Nc3nc(N4CCOCC4)nc(N)c31)=C2
InChIInChI=1S/C21H23N5O4/c1-28-15-4-2-3-12-9-13(11-30-18(12)15)14-10-16(27)23-20-17(14)19(22)24-21(25-20)26-5-7-29-8-6-26/h2-4,9,14H,5-8,10-11H2,1H3,(H3,22,23,24,25,27)
InChIKeyULFDOJHLCFNTSX-UHFFFAOYSA-N
XLogP1.81
TPSA111.83 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.45
LogP ≤ 51.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 4-amino-5-(8-methoxy-2H-chromen-3-yl)-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-(2,6-difluoro-4-methoxyphenyl)-2-morpholin-4-yl-6,8-dihydro-5H-pyrido[2,3-d]pyrimidin-7-one
CID 171911581
(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-(5-methyl-1H-imidazol-4-yl)-2-morpholin-4-yl-6,8-dihydro-5H-pyrido[2,3-d]pyrimidin-7-one
CID 169420578
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
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
(5S)-4-amino-2-morpholin-4-yl-N-(4-nitrophenyl)-7-oxo-6,8-dihydro-5H-pyrido[2,3-d]pyrimidine-5-carboxamide
CID 29102362
(5S)-4-amino-N-(4-methoxyphenyl)-7-oxo-2-pyrrolidin-1-yl-6,8-dihydro-5H-pyrido[2,3-d]pyrimidine-5-carboxamide
CID 28504008
4-amino-2-morpholin-4-yl-5-phenyl-7,8,9,10-tetrahydro-5H-pyrimido[4,5-b]quinolin-6-one
CID 17198450
(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
(5R)-4-amino-5-(2-methoxyphenyl)-2-piperidin-1-yl-7,8,9,10-tetrahydro-5H-pyrimido[4,5-b]quinolin-6-one
CID 29109908
(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
4-amino-2-morpholin-4-yl-5-pyridin-3-yl-7,8,9,10-tetrahydro-5H-pyrimido[4,5-b]quinolin-6-one
CID 16653334

Frequently Asked Questions

What is the IUPAC name of 4-amino-5-(8-methoxy-2H-chromen-3-yl)-2-morpholin-4-yl-6,8-dihydro-5H-pyrido[2,3-d]pyrimidin-7-one?
The IUPAC name of 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) is 4-amino-5-(8-methoxy-2H-chromen-3-yl)-2-morpholin-4-yl-6,8-dihydro-5H-pyrido[2,3-d]pyrimidin-7-one.
What is the SMILES notation for 4-amino-5-(8-methoxy-2H-chromen-3-yl)-2-morpholin-4-yl-6,8-dihydro-5H-pyrido[2,3-d]pyrimidin-7-one?
The canonical SMILES for 4-amino-5-(8-methoxy-2H-chromen-3-yl)-2-morpholin-4-yl-6,8-dihydro-5H-pyrido[2,3-d]pyrimidin-7-one is COc1cccc2c1OCC(C1CC(=O)Nc3nc(N4CCOCC4)nc(N)c31)=C2.
What is the InChIKey of 4-amino-5-(8-methoxy-2H-chromen-3-yl)-2-morpholin-4-yl-6,8-dihydro-5H-pyrido[2,3-d]pyrimidin-7-one?
The InChIKey is ULFDOJHLCFNTSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N5O4/c1-28-15-4-2-3-12-9-13(11-30-18(12)15)14-10-16(27)23-20-17(14)19(22)24-21(25-20)26-5-7-29-8-6-26/h2-4,9,14H,5-8,10-11H2,1H3,(H3,22,23,24,25,27).
What are the key properties of 4-amino-5-(8-methoxy-2H-chromen-3-yl)-2-morpholin-4-yl-6,8-dihydro-5H-pyrido[2,3-d]pyrimidin-7-one?
4-amino-5-(8-methoxy-2H-chromen-3-yl)-2-morpholin-4-yl-6,8-dihydro-5H-pyrido[2,3-d]pyrimidin-7-one has a molecular weight of 409.45 g/mol, XLogP of 1.81, 3 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-5-(8-methoxy-2H-chromen-3-yl)-2-morpholin-4-yl-6,8-dihydro-5H-pyrido[2,3-d]pyrimidin-7-one is sourced from PubChem (CID 170505925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).