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

C24H21N5O3 — CID 135524110

IUPAC6-[2-[(E)-2-[4-(morpholine-4-carbonyl)phenyl]ethenyl]-4-pyridinyl]-3,7-dihydropyrrolo[2,3-d]pyrimidin-4-one
SMILESO=C(c1ccc(/C=C/c2cc(-c3cc4c(=O)[nH]cnc4[nH]3)ccn2)cc1)N1CCOCC1
InChIInChI=1S/C24H21N5O3/c30-23-20-14-21(28-22(20)26-15-27-23)18-7-8-25-19(13-18)6-3-16-1-4-17(5-2-16)24(31)29-9-11-32-12-10-29/h1-8,13-15H,9-12H2,(H2,26,27,28,30)/b6-3+
InChIKeyDSHFYIZZAXPSDI-ZZXKWVIFSA-N
MW427.46 g/mol
LogP2.96
Rot. Bonds4

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

6-[2-[(E)-2-[4-(morpholine-4-carbonyl)phenyl]ethenyl]-4-pyridinyl]-3,7-dihydropyrrolo[2,3-d]pyrimidin-4-one (PubChem CID 135524110) has the molecular formula C24H21N5O3 and a molecular weight of 427.46 g/mol. Its IUPAC name is 6-[2-[(E)-2-[4-(morpholine-4-carbonyl)phenyl]ethenyl]-4-pyridinyl]-3,7-dihydropyrrolo[2,3-d]pyrimidin-4-one.

Molecular Properties

Compound Name6-[2-[(E)-2-[4-(morpholine-4-carbonyl)phenyl]ethenyl]-4-pyridinyl]-3,7-dihydropyrrolo[2,3-d]pyrimidin-4-one
PubChem CID135524110
Molecular FormulaC24H21N5O3
Molecular Weight427.46 g/mol
Exact Mass427.16
IUPAC Name6-[2-[(E)-2-[4-(morpholine-4-carbonyl)phenyl]ethenyl]-4-pyridinyl]-3,7-dihydropyrrolo[2,3-d]pyrimidin-4-one
SMILESO=C(c1ccc(/C=C/c2cc(-c3cc4c(=O)[nH]cnc4[nH]3)ccn2)cc1)N1CCOCC1
InChIInChI=1S/C24H21N5O3/c30-23-20-14-21(28-22(20)26-15-27-23)18-7-8-25-19(13-18)6-3-16-1-4-17(5-2-16)24(31)29-9-11-32-12-10-29/h1-8,13-15H,9-12H2,(H2,26,27,28,30)/b6-3+
InChIKeyDSHFYIZZAXPSDI-ZZXKWVIFSA-N
XLogP2.96
TPSA103.97 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.46
LogP ≤ 52.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-[2-[(E)-2-[4-(morpholine-4-carbonyl)phenyl]ethenyl]-4-pyridinyl]-3,7-dihydropyrrolo[2,3-d]pyrimidin-4-one?
The IUPAC name of 6-[2-[(E)-2-[4-(morpholine-4-carbonyl)phenyl]ethenyl]-4-pyridinyl]-3,7-dihydropyrrolo[2,3-d]pyrimidin-4-one (CID 135524110) is 6-[2-[(E)-2-[4-(morpholine-4-carbonyl)phenyl]ethenyl]-4-pyridinyl]-3,7-dihydropyrrolo[2,3-d]pyrimidin-4-one.
What is the SMILES notation for 6-[2-[(E)-2-[4-(morpholine-4-carbonyl)phenyl]ethenyl]-4-pyridinyl]-3,7-dihydropyrrolo[2,3-d]pyrimidin-4-one?
The canonical SMILES for 6-[2-[(E)-2-[4-(morpholine-4-carbonyl)phenyl]ethenyl]-4-pyridinyl]-3,7-dihydropyrrolo[2,3-d]pyrimidin-4-one is O=C(c1ccc(/C=C/c2cc(-c3cc4c(=O)[nH]cnc4[nH]3)ccn2)cc1)N1CCOCC1.
What is the InChIKey of 6-[2-[(E)-2-[4-(morpholine-4-carbonyl)phenyl]ethenyl]-4-pyridinyl]-3,7-dihydropyrrolo[2,3-d]pyrimidin-4-one?
The InChIKey is DSHFYIZZAXPSDI-ZZXKWVIFSA-N. The full InChI is InChI=1S/C24H21N5O3/c30-23-20-14-21(28-22(20)26-15-27-23)18-7-8-25-19(13-18)6-3-16-1-4-17(5-2-16)24(31)29-9-11-32-12-10-29/h1-8,13-15H,9-12H2,(H2,26,27,28,30)/b6-3+.
What are the key properties of 6-[2-[(E)-2-[4-(morpholine-4-carbonyl)phenyl]ethenyl]-4-pyridinyl]-3,7-dihydropyrrolo[2,3-d]pyrimidin-4-one?
6-[2-[(E)-2-[4-(morpholine-4-carbonyl)phenyl]ethenyl]-4-pyridinyl]-3,7-dihydropyrrolo[2,3-d]pyrimidin-4-one has a molecular weight of 427.46 g/mol, XLogP of 2.96, 4 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-(morpholine-4-carbonyl)phenyl]ethenyl]-4-pyridinyl]-3,7-dihydropyrrolo[2,3-d]pyrimidin-4-one is sourced from PubChem (CID 135524110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).