7-(6-amino-3-pyridinyl)-5-[4-(2-methoxyethoxy)phenyl]-3H-pyrrolo[2,3-d]pyrimidin-4-one

C20H19N5O3 — CID 146671271

IUPAC7-(6-amino-3-pyridinyl)-5-[4-(2-methoxyethoxy)phenyl]-3H-pyrrolo[2,3-d]pyrimidin-4-one
SMILESCOCCOc1ccc(-c2cn(-c3ccc(N)nc3)c3nc[nH]c(=O)c23)cc1
InChIInChI=1S/C20H19N5O3/c1-27-8-9-28-15-5-2-13(3-6-15)16-11-25(14-4-7-17(21)22-10-14)19-18(16)20(26)24-12-23-19/h2-7,10-12H,8-9H2,1H3,(H2,21,22)(H,23,24,26)
InChIKeyMABXQAOMKNTPCA-UHFFFAOYSA-N
MW377.40 g/mol
LogP2.38
Rot. Bonds6

About 7-(6-amino-3-pyridinyl)-5-[4-(2-methoxyethoxy)phenyl]-3H-pyrrolo[2,3-d]pyrimidin-4-one

7-(6-amino-3-pyridinyl)-5-[4-(2-methoxyethoxy)phenyl]-3H-pyrrolo[2,3-d]pyrimidin-4-one (PubChem CID 146671271) has the molecular formula C20H19N5O3 and a molecular weight of 377.40 g/mol. Its IUPAC name is 7-(6-amino-3-pyridinyl)-5-[4-(2-methoxyethoxy)phenyl]-3H-pyrrolo[2,3-d]pyrimidin-4-one.

Molecular Properties

Compound Name7-(6-amino-3-pyridinyl)-5-[4-(2-methoxyethoxy)phenyl]-3H-pyrrolo[2,3-d]pyrimidin-4-one
PubChem CID146671271
Molecular FormulaC20H19N5O3
Molecular Weight377.40 g/mol
Exact Mass377.15
IUPAC Name7-(6-amino-3-pyridinyl)-5-[4-(2-methoxyethoxy)phenyl]-3H-pyrrolo[2,3-d]pyrimidin-4-one
SMILESCOCCOc1ccc(-c2cn(-c3ccc(N)nc3)c3nc[nH]c(=O)c23)cc1
InChIInChI=1S/C20H19N5O3/c1-27-8-9-28-15-5-2-13(3-6-15)16-11-25(14-4-7-17(21)22-10-14)19-18(16)20(26)24-12-23-19/h2-7,10-12H,8-9H2,1H3,(H2,21,22)(H,23,24,26)
InChIKeyMABXQAOMKNTPCA-UHFFFAOYSA-N
XLogP2.38
TPSA108.05 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.40
LogP ≤ 52.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

5-[4-[(2S)-1-methoxypropan-2-yl]oxyphenyl]-7-phenyl-3H-pyrrolo[2,3-d]pyrimidin-4-one
CID 155247476
3-[4-(2-methoxyethoxy)phenyl]-1-pyridin-3-yl-5H-pyrrolo[3,2-c]pyridin-4-one
CID 146627206
5-[4-(3-hydroxy-2,2-dimethylpropoxy)phenyl]-7-pyridin-3-yl-3H-pyrrolo[2,3-d]pyrimidin-4-one
CID 146671500
7-(3,5-difluorophenyl)-5-[4-(3-hydroxy-3-methylbutoxy)phenyl]-3H-pyrrolo[2,3-d]pyrimidin-4-one
CID 138556010
7-(3-fluorophenyl)-5-[4-(3-hydroxy-3-methylbutoxy)phenyl]-3H-pyrrolo[2,3-d]pyrimidin-4-one
CID 138555680
dibenzyl [2-methyl-4-[4-(4-oxo-7-phenyl-3H-pyrrolo[2,3-d]pyrimidin-5-yl)phenoxy]butan-2-yl] phosphite
CID 138555911
5-[4-[3-methyl-3-[methyl(phenylmethoxy)phosphoryl]oxybutoxy]phenyl]-7-phenyl-3H-pyrrolo[2,3-d]pyrimidin-4-one;[2-methyl-4-[4-(4-oxo-7-phenyl-3H-pyrrolo[2,3-d]pyrimidin-5-yl)phenoxy]butan-2-yl] dihydrogen phosphate
CID 158562090
5-[4-(3-hydroxy-3-methylbutoxy)phenyl]-7-phenyl-3H-pyrrolo[2,3-d]pyrimidin-4-one;5-[4-[3-methyl-3-[methyl(phenylmethoxy)phosphoryl]oxybutoxy]phenyl]-7-phenyl-3H-pyrrolo[2,3-d]pyrimidin-4-one
CID 161172443
3-iodo-1-phenyl-5H-pyrrolo[3,2-c]pyridin-4-one;3-[4-(2-methoxyethoxy)phenyl]-1-phenyl-5H-pyrrolo[3,2-c]pyridin-4-one
CID 158841492
7-(4-iodophenyl)-5-phenyl-3H-pyrrolo[2,3-d]pyrimidin-4-one
CID 135419385
7-phenyl-5-[4-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]-3H-pyrrolo[2,3-d]pyrimidin-4-one
CID 166138098
N,N-dimethyl-4-[7-(4-methylphenyl)-4-oxo-3H-pyrrolo[2,3-d]pyrimidin-5-yl]benzenesulfonamide
CID 135949441

Frequently Asked Questions

What is the IUPAC name of 7-(6-amino-3-pyridinyl)-5-[4-(2-methoxyethoxy)phenyl]-3H-pyrrolo[2,3-d]pyrimidin-4-one?
The IUPAC name of 7-(6-amino-3-pyridinyl)-5-[4-(2-methoxyethoxy)phenyl]-3H-pyrrolo[2,3-d]pyrimidin-4-one (CID 146671271) is 7-(6-amino-3-pyridinyl)-5-[4-(2-methoxyethoxy)phenyl]-3H-pyrrolo[2,3-d]pyrimidin-4-one.
What is the SMILES notation for 7-(6-amino-3-pyridinyl)-5-[4-(2-methoxyethoxy)phenyl]-3H-pyrrolo[2,3-d]pyrimidin-4-one?
The canonical SMILES for 7-(6-amino-3-pyridinyl)-5-[4-(2-methoxyethoxy)phenyl]-3H-pyrrolo[2,3-d]pyrimidin-4-one is COCCOc1ccc(-c2cn(-c3ccc(N)nc3)c3nc[nH]c(=O)c23)cc1.
What is the InChIKey of 7-(6-amino-3-pyridinyl)-5-[4-(2-methoxyethoxy)phenyl]-3H-pyrrolo[2,3-d]pyrimidin-4-one?
The InChIKey is MABXQAOMKNTPCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N5O3/c1-27-8-9-28-15-5-2-13(3-6-15)16-11-25(14-4-7-17(21)22-10-14)19-18(16)20(26)24-12-23-19/h2-7,10-12H,8-9H2,1H3,(H2,21,22)(H,23,24,26).
What are the key properties of 7-(6-amino-3-pyridinyl)-5-[4-(2-methoxyethoxy)phenyl]-3H-pyrrolo[2,3-d]pyrimidin-4-one?
7-(6-amino-3-pyridinyl)-5-[4-(2-methoxyethoxy)phenyl]-3H-pyrrolo[2,3-d]pyrimidin-4-one has a molecular weight of 377.40 g/mol, XLogP of 2.38, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(6-amino-3-pyridinyl)-5-[4-(2-methoxyethoxy)phenyl]-3H-pyrrolo[2,3-d]pyrimidin-4-one is sourced from PubChem (CID 146671271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).