5-(2-methoxyethylamino)-3-methyl-7-[4-(2-oxopyrrolidin-1-yl)phenyl]pyrido[4,3-d]pyrimidin-4-one

C21H23N5O3 — CID 50923976

IUPAC5-(2-methoxyethylamino)-3-methyl-7-[4-(2-oxopyrrolidin-1-yl)phenyl]pyrido[4,3-d]pyrimidin-4-one
SMILESCOCCNc1nc(-c2ccc(N3CCCC3=O)cc2)cc2ncn(C)c(=O)c12
InChIInChI=1S/C21H23N5O3/c1-25-13-23-17-12-16(24-20(19(17)21(25)28)22-9-11-29-2)14-5-7-15(8-6-14)26-10-3-4-18(26)27/h5-8,12-13H,3-4,9-11H2,1-2H3,(H,22,24)
InChIKeyCGOXAKJQYHYRFC-UHFFFAOYSA-N
MW393.45 g/mol
LogP2.18
Rot. Bonds6

About 5-(2-methoxyethylamino)-3-methyl-7-[4-(2-oxopyrrolidin-1-yl)phenyl]pyrido[4,3-d]pyrimidin-4-one

5-(2-methoxyethylamino)-3-methyl-7-[4-(2-oxopyrrolidin-1-yl)phenyl]pyrido[4,3-d]pyrimidin-4-one (PubChem CID 50923976) has the molecular formula C21H23N5O3 and a molecular weight of 393.45 g/mol. Its IUPAC name is 5-(2-methoxyethylamino)-3-methyl-7-[4-(2-oxopyrrolidin-1-yl)phenyl]pyrido[4,3-d]pyrimidin-4-one.

Molecular Properties

Compound Name5-(2-methoxyethylamino)-3-methyl-7-[4-(2-oxopyrrolidin-1-yl)phenyl]pyrido[4,3-d]pyrimidin-4-one
PubChem CID50923976
Molecular FormulaC21H23N5O3
Molecular Weight393.45 g/mol
Exact Mass393.18
IUPAC Name5-(2-methoxyethylamino)-3-methyl-7-[4-(2-oxopyrrolidin-1-yl)phenyl]pyrido[4,3-d]pyrimidin-4-one
SMILESCOCCNc1nc(-c2ccc(N3CCCC3=O)cc2)cc2ncn(C)c(=O)c12
InChIInChI=1S/C21H23N5O3/c1-25-13-23-17-12-16(24-20(19(17)21(25)28)22-9-11-29-2)14-5-7-15(8-6-14)26-10-3-4-18(26)27/h5-8,12-13H,3-4,9-11H2,1-2H3,(H,22,24)
InChIKeyCGOXAKJQYHYRFC-UHFFFAOYSA-N
XLogP2.18
TPSA89.35 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.45
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

6-(3-aminopropyl)-8-(4-morpholin-4-ylanilino)-2H-2,7-naphthyridin-1-one
CID 44180013
6-(4-Acryloyl-piperazin-1-yl)-2-[4-(2-pyrrolidin-1-yl-ethyl)-phenylamino]-nicotinamide
CID 118038376
4-[4-(morpholine-4-carbonyl)anilino]-2-[(3S)-3-(prop-2-enoylamino)pyrrolidin-1-yl]pyrimidine-5-carboxamide
CID 118043323
2-(2,6-Difluorophenyl)-4-[(5-morpholin-4-yl-2-pyridinyl)amino]-6,7-dihydropyrrolo[3,4-b]pyridin-5-one
CID 118341329
2-(2,6-Difluorophenyl)-4-[[5-(morpholine-4-carbonyl)-2-pyridinyl]amino]-6,7-dihydropyrrolo[3,4-b]pyridin-5-one
CID 118341389
2-[4-(tert-butylcarbamoyl)anilino]-6-[(3S)-3-(prop-2-enoylamino)pyrrolidin-1-yl]pyridine-3-carboxamide
CID 137349435
N-[3-[3-ethyl-6-[4-(4-methylpiperazin-1-yl)phenyl]-4-oxo-7H-pyrrolo[2,3-d]pyrimidin-5-yl]phenyl]prop-2-enamide
CID 145945998
8-(4-morpholin-4-ylanilino)-6-phenyl-2H-2,7-naphthyridin-1-one
CID 44193817
N-(2-methylpropyl)-2-[4-[(5-oxo-2-phenyl-7,8-dihydro-6H-pyrido[4,3-d]pyrimidin-4-yl)amino]phenyl]acetamide
CID 72697151
1-[2-(4-morpholinyl)-5-phenyl-1H-pyrrol-3-yl]ethanone
CID 3237586
N-[(3-fluorophenyl)-methyl]-4-methyl-6-morpholin-4-yl-2-propyl-pyridine-3-carboxylic acid amide
CID 67286956
2-[4-[[2-(2,6-difluorophenyl)-5-oxo-6,7-dihydropyrrolo[3,4-d]pyrimidin-4-yl]amino]phenyl]-N-ethylacetamide
CID 91864575

Frequently Asked Questions

What is the IUPAC name of 5-(2-methoxyethylamino)-3-methyl-7-[4-(2-oxopyrrolidin-1-yl)phenyl]pyrido[4,3-d]pyrimidin-4-one?
The IUPAC name of 5-(2-methoxyethylamino)-3-methyl-7-[4-(2-oxopyrrolidin-1-yl)phenyl]pyrido[4,3-d]pyrimidin-4-one (CID 50923976) is 5-(2-methoxyethylamino)-3-methyl-7-[4-(2-oxopyrrolidin-1-yl)phenyl]pyrido[4,3-d]pyrimidin-4-one.
What is the SMILES notation for 5-(2-methoxyethylamino)-3-methyl-7-[4-(2-oxopyrrolidin-1-yl)phenyl]pyrido[4,3-d]pyrimidin-4-one?
The canonical SMILES for 5-(2-methoxyethylamino)-3-methyl-7-[4-(2-oxopyrrolidin-1-yl)phenyl]pyrido[4,3-d]pyrimidin-4-one is COCCNc1nc(-c2ccc(N3CCCC3=O)cc2)cc2ncn(C)c(=O)c12.
What is the InChIKey of 5-(2-methoxyethylamino)-3-methyl-7-[4-(2-oxopyrrolidin-1-yl)phenyl]pyrido[4,3-d]pyrimidin-4-one?
The InChIKey is CGOXAKJQYHYRFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N5O3/c1-25-13-23-17-12-16(24-20(19(17)21(25)28)22-9-11-29-2)14-5-7-15(8-6-14)26-10-3-4-18(26)27/h5-8,12-13H,3-4,9-11H2,1-2H3,(H,22,24).
What are the key properties of 5-(2-methoxyethylamino)-3-methyl-7-[4-(2-oxopyrrolidin-1-yl)phenyl]pyrido[4,3-d]pyrimidin-4-one?
5-(2-methoxyethylamino)-3-methyl-7-[4-(2-oxopyrrolidin-1-yl)phenyl]pyrido[4,3-d]pyrimidin-4-one has a molecular weight of 393.45 g/mol, XLogP of 2.18, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-methoxyethylamino)-3-methyl-7-[4-(2-oxopyrrolidin-1-yl)phenyl]pyrido[4,3-d]pyrimidin-4-one is sourced from PubChem (CID 50923976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).