6-[2-[(E)-2-[4-(diethylaminomethyl)phenyl]ethenyl]-4-pyridinyl]-3,7-dihydropyrrolo[2,3-d]pyrimidin-4-one

C24H25N5O — CID 135524108

IUPAC6-[2-[(E)-2-[4-(diethylaminomethyl)phenyl]ethenyl]-4-pyridinyl]-3,7-dihydropyrrolo[2,3-d]pyrimidin-4-one
SMILESCCN(CC)Cc1ccc(/C=C/c2cc(-c3cc4c(=O)[nH]cnc4[nH]3)ccn2)cc1
InChIInChI=1S/C24H25N5O/c1-3-29(4-2)15-18-7-5-17(6-8-18)9-10-20-13-19(11-12-25-20)22-14-21-23(28-22)26-16-27-24(21)30/h5-14,16H,3-4,15H2,1-2H3,(H2,26,27,28,30)/b10-9+
InChIKeyKQJAABRPYRXXCA-MDZDMXLPSA-N
MW399.50 g/mol
LogP4.33
Rot. Bonds7

About 6-[2-[(E)-2-[4-(diethylaminomethyl)phenyl]ethenyl]-4-pyridinyl]-3,7-dihydropyrrolo[2,3-d]pyrimidin-4-one

6-[2-[(E)-2-[4-(diethylaminomethyl)phenyl]ethenyl]-4-pyridinyl]-3,7-dihydropyrrolo[2,3-d]pyrimidin-4-one (PubChem CID 135524108) has the molecular formula C24H25N5O and a molecular weight of 399.50 g/mol. Its IUPAC name is 6-[2-[(E)-2-[4-(diethylaminomethyl)phenyl]ethenyl]-4-pyridinyl]-3,7-dihydropyrrolo[2,3-d]pyrimidin-4-one.

Molecular Properties

Compound Name6-[2-[(E)-2-[4-(diethylaminomethyl)phenyl]ethenyl]-4-pyridinyl]-3,7-dihydropyrrolo[2,3-d]pyrimidin-4-one
PubChem CID135524108
Molecular FormulaC24H25N5O
Molecular Weight399.50 g/mol
Exact Mass399.21
IUPAC Name6-[2-[(E)-2-[4-(diethylaminomethyl)phenyl]ethenyl]-4-pyridinyl]-3,7-dihydropyrrolo[2,3-d]pyrimidin-4-one
SMILESCCN(CC)Cc1ccc(/C=C/c2cc(-c3cc4c(=O)[nH]cnc4[nH]3)ccn2)cc1
InChIInChI=1S/C24H25N5O/c1-3-29(4-2)15-18-7-5-17(6-8-18)9-10-20-13-19(11-12-25-20)22-14-21-23(28-22)26-16-27-24(21)30/h5-14,16H,3-4,15H2,1-2H3,(H2,26,27,28,30)/b10-9+
InChIKeyKQJAABRPYRXXCA-MDZDMXLPSA-N
XLogP4.33
TPSA77.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.50
LogP ≤ 54.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 6-[2-[(E)-2-[4-(diethylaminomethyl)phenyl]ethenyl]-4-pyridinyl]-3,7-dihydropyrrolo[2,3-d]pyrimidin-4-one with MolForge

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Related Compounds

Y-39983
CID 11507964
BPKDi
CID 46901383
2-(2-aminopyrimidin-4-yl)-7-(propan-2-yl)-1H,4H,5H,6H,7H-pyrrolo[3,2-c]pyridin-4-one
CID 11357740
2-((2-((2-Methyl-4-(1-propyl-1,2,5,6-tetrahydropyridin-3-yl)phenyl)amino)-7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino)benzamide
CID 25218593
2-(4-{6-[(3R,5S)-3,5-dimethylpiperazin-1-yl]-4-methylpyridin-3-yl}phenyl)-7-methyl-3H,4H,7H-pyrrolo[2,3-d]pyrimidin-4-one
CID 135905416
Dipyridodiazepinone deriv. 41
CID 463561
Dipyridodiazepinone deriv. 42
CID 463562
Dipyridodiazepinone deriv. 43
CID 463563
6H-Dipyrido(3,2-b:2',3'-e)(1,4)diazepin-6-one, 11-ethyl-5,11-dihydro-2-(1H-indol-3-yl)-5-methyl-
CID 466843
2-amino-5-(2-phenylethyl)-3,7-dihydro-4H-pyrrolo[2,3-d]pyrimidin-4-one
CID 135531129
Nevirapin 2,4-Disubstituted deriv. 12a
CID 464562
Pyrrolopyridine, 35
CID 10007353

Frequently Asked Questions

What is the IUPAC name of 6-[2-[(E)-2-[4-(diethylaminomethyl)phenyl]ethenyl]-4-pyridinyl]-3,7-dihydropyrrolo[2,3-d]pyrimidin-4-one?
The IUPAC name of 6-[2-[(E)-2-[4-(diethylaminomethyl)phenyl]ethenyl]-4-pyridinyl]-3,7-dihydropyrrolo[2,3-d]pyrimidin-4-one (CID 135524108) is 6-[2-[(E)-2-[4-(diethylaminomethyl)phenyl]ethenyl]-4-pyridinyl]-3,7-dihydropyrrolo[2,3-d]pyrimidin-4-one.
What is the SMILES notation for 6-[2-[(E)-2-[4-(diethylaminomethyl)phenyl]ethenyl]-4-pyridinyl]-3,7-dihydropyrrolo[2,3-d]pyrimidin-4-one?
The canonical SMILES for 6-[2-[(E)-2-[4-(diethylaminomethyl)phenyl]ethenyl]-4-pyridinyl]-3,7-dihydropyrrolo[2,3-d]pyrimidin-4-one is CCN(CC)Cc1ccc(/C=C/c2cc(-c3cc4c(=O)[nH]cnc4[nH]3)ccn2)cc1.
What is the InChIKey of 6-[2-[(E)-2-[4-(diethylaminomethyl)phenyl]ethenyl]-4-pyridinyl]-3,7-dihydropyrrolo[2,3-d]pyrimidin-4-one?
The InChIKey is KQJAABRPYRXXCA-MDZDMXLPSA-N. The full InChI is InChI=1S/C24H25N5O/c1-3-29(4-2)15-18-7-5-17(6-8-18)9-10-20-13-19(11-12-25-20)22-14-21-23(28-22)26-16-27-24(21)30/h5-14,16H,3-4,15H2,1-2H3,(H2,26,27,28,30)/b10-9+.
What are the key properties of 6-[2-[(E)-2-[4-(diethylaminomethyl)phenyl]ethenyl]-4-pyridinyl]-3,7-dihydropyrrolo[2,3-d]pyrimidin-4-one?
6-[2-[(E)-2-[4-(diethylaminomethyl)phenyl]ethenyl]-4-pyridinyl]-3,7-dihydropyrrolo[2,3-d]pyrimidin-4-one has a molecular weight of 399.50 g/mol, XLogP of 4.33, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-[(E)-2-[4-(diethylaminomethyl)phenyl]ethenyl]-4-pyridinyl]-3,7-dihydropyrrolo[2,3-d]pyrimidin-4-one is sourced from PubChem (CID 135524108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).