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

C23H23N5O2 — CID 135524085

IUPAC6-[2-[(E)-2-[4-[2-(dimethylamino)ethoxy]phenyl]ethenyl]-4-pyridinyl]-3,7-dihydropyrrolo[2,3-d]pyrimidin-4-one
SMILESCN(C)CCOc1ccc(/C=C/c2cc(-c3cc4c(=O)[nH]cnc4[nH]3)ccn2)cc1
InChIInChI=1S/C23H23N5O2/c1-28(2)11-12-30-19-7-4-16(5-8-19)3-6-18-13-17(9-10-24-18)21-14-20-22(27-21)25-15-26-23(20)29/h3-10,13-15H,11-12H2,1-2H3,(H2,25,26,27,29)/b6-3+
InChIKeyRLAJOHAIIACFAM-ZZXKWVIFSA-N
MW401.47 g/mol
LogP3.42
Rot. Bonds7

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

6-[2-[(E)-2-[4-[2-(dimethylamino)ethoxy]phenyl]ethenyl]-4-pyridinyl]-3,7-dihydropyrrolo[2,3-d]pyrimidin-4-one (PubChem CID 135524085) has the molecular formula C23H23N5O2 and a molecular weight of 401.47 g/mol. Its IUPAC name is 6-[2-[(E)-2-[4-[2-(dimethylamino)ethoxy]phenyl]ethenyl]-4-pyridinyl]-3,7-dihydropyrrolo[2,3-d]pyrimidin-4-one.

Molecular Properties

Compound Name6-[2-[(E)-2-[4-[2-(dimethylamino)ethoxy]phenyl]ethenyl]-4-pyridinyl]-3,7-dihydropyrrolo[2,3-d]pyrimidin-4-one
PubChem CID135524085
Molecular FormulaC23H23N5O2
Molecular Weight401.47 g/mol
Exact Mass401.19
IUPAC Name6-[2-[(E)-2-[4-[2-(dimethylamino)ethoxy]phenyl]ethenyl]-4-pyridinyl]-3,7-dihydropyrrolo[2,3-d]pyrimidin-4-one
SMILESCN(C)CCOc1ccc(/C=C/c2cc(-c3cc4c(=O)[nH]cnc4[nH]3)ccn2)cc1
InChIInChI=1S/C23H23N5O2/c1-28(2)11-12-30-19-7-4-16(5-8-19)3-6-18-13-17(9-10-24-18)21-14-20-22(27-21)25-15-26-23(20)29/h3-10,13-15H,11-12H2,1-2H3,(H2,25,26,27,29)/b6-3+
InChIKeyRLAJOHAIIACFAM-ZZXKWVIFSA-N
XLogP3.42
TPSA86.90 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.47
LogP ≤ 53.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

Pyrrolopyridine, 29
CID 16720207
7-(4-Methoxyphenyl)-5-phenyl-7H-pyrrolo[2,3-d]pyrimidin-4-ol
CID 135489967
2-[3-[4-(2-ethoxyphenyl)piperazin-1-yl]propylamino]-N,N-dimethylpyridine-3-carboxamide
CID 10787790
Pyrrolo-pyrimidone, 4
CID 135874060
3-methyl-2-[[(3R,5R)-1-methyl-5-(4-phenylmethoxyphenyl)piperidin-3-yl]amino]-5H-pyrrolo[3,2-d]pyrimidin-4-one
CID 155520495
2-[2-(2-methoxyanilino)pyrimidin-4-yl]-1'-prop-2-enoylspiro[5,6-dihydro-1H-pyrrolo[3,2-c]pyridine-7,4'-piperidine]-4-one
CID 166626802
3-(2-(4-(2-methoxyphenyl)piperazin-1-yl)ethyl)-6-phenyl-1H-pyrrolo[2,3-d]pyrimidine-2,4(3H,7H)-dione
CID 9889726
2-[4-(2,4-dioxo-1,3-dipropyl-5H-pyrrolo[3,2-d]pyrimidin-6-yl)phenoxy]-N-(5-methyl-2-pyridinyl)acetamide
CID 11525776
2-[4-(2,4-dioxo-1,3-dipropyl-5H-pyrrolo[3,2-d]pyrimidin-6-yl)phenoxy]-N-pyridin-2-ylacetamide
CID 11676986
2-(4-Methoxy-phenyl)-5-pyridin-4-yl-1H-pyrrole-3-carboxamide
CID 24809726
1,3-dimethyl-6-[4-[2-oxo-2-(4-pyridin-2-ylpiperazin-1-yl)ethoxy]phenyl]-5H-pyrrolo[3,2-d]pyrimidine-2,4-dione
CID 44451129
1-[7-(2-Methoxy-phenylamino)-3-methyl-1H-pyrrolo[2,3-c]pyridin-4-yl]-1-morpholin-4-yl-methanone
CID 44475190

Frequently Asked Questions

What is the IUPAC name of 6-[2-[(E)-2-[4-[2-(dimethylamino)ethoxy]phenyl]ethenyl]-4-pyridinyl]-3,7-dihydropyrrolo[2,3-d]pyrimidin-4-one?
The IUPAC name of 6-[2-[(E)-2-[4-[2-(dimethylamino)ethoxy]phenyl]ethenyl]-4-pyridinyl]-3,7-dihydropyrrolo[2,3-d]pyrimidin-4-one (CID 135524085) is 6-[2-[(E)-2-[4-[2-(dimethylamino)ethoxy]phenyl]ethenyl]-4-pyridinyl]-3,7-dihydropyrrolo[2,3-d]pyrimidin-4-one.
What is the SMILES notation for 6-[2-[(E)-2-[4-[2-(dimethylamino)ethoxy]phenyl]ethenyl]-4-pyridinyl]-3,7-dihydropyrrolo[2,3-d]pyrimidin-4-one?
The canonical SMILES for 6-[2-[(E)-2-[4-[2-(dimethylamino)ethoxy]phenyl]ethenyl]-4-pyridinyl]-3,7-dihydropyrrolo[2,3-d]pyrimidin-4-one is CN(C)CCOc1ccc(/C=C/c2cc(-c3cc4c(=O)[nH]cnc4[nH]3)ccn2)cc1.
What is the InChIKey of 6-[2-[(E)-2-[4-[2-(dimethylamino)ethoxy]phenyl]ethenyl]-4-pyridinyl]-3,7-dihydropyrrolo[2,3-d]pyrimidin-4-one?
The InChIKey is RLAJOHAIIACFAM-ZZXKWVIFSA-N. The full InChI is InChI=1S/C23H23N5O2/c1-28(2)11-12-30-19-7-4-16(5-8-19)3-6-18-13-17(9-10-24-18)21-14-20-22(27-21)25-15-26-23(20)29/h3-10,13-15H,11-12H2,1-2H3,(H2,25,26,27,29)/b6-3+.
What are the key properties of 6-[2-[(E)-2-[4-[2-(dimethylamino)ethoxy]phenyl]ethenyl]-4-pyridinyl]-3,7-dihydropyrrolo[2,3-d]pyrimidin-4-one?
6-[2-[(E)-2-[4-[2-(dimethylamino)ethoxy]phenyl]ethenyl]-4-pyridinyl]-3,7-dihydropyrrolo[2,3-d]pyrimidin-4-one has a molecular weight of 401.47 g/mol, XLogP of 3.42, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-[(E)-2-[4-[2-(dimethylamino)ethoxy]phenyl]ethenyl]-4-pyridinyl]-3,7-dihydropyrrolo[2,3-d]pyrimidin-4-one is sourced from PubChem (CID 135524085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).