6-[2-[2-[4-(morpholin-4-ylmethyl)phenyl]ethynyl]-4-pyridinyl]-3,7-dihydropyrrolo[2,3-d]pyrimidin-4-one

C24H21N5O2 — CID 135524089

IUPAC6-[2-[2-[4-(morpholin-4-ylmethyl)phenyl]ethynyl]-4-pyridinyl]-3,7-dihydropyrrolo[2,3-d]pyrimidin-4-one
SMILESO=c1[nH]cnc2[nH]c(-c3ccnc(C#Cc4ccc(CN5CCOCC5)cc4)c3)cc12
InChIInChI=1S/C24H21N5O2/c30-24-21-14-22(28-23(21)26-16-27-24)19-7-8-25-20(13-19)6-5-17-1-3-18(4-2-17)15-29-9-11-31-12-10-29/h1-4,7-8,13-14,16H,9-12,15H2,(H2,26,27,28,30)
InChIKeySTTHMURQAVSFPT-UHFFFAOYSA-N
MW411.47 g/mol
LogP2.55
Rot. Bonds3

About 6-[2-[2-[4-(morpholin-4-ylmethyl)phenyl]ethynyl]-4-pyridinyl]-3,7-dihydropyrrolo[2,3-d]pyrimidin-4-one

6-[2-[2-[4-(morpholin-4-ylmethyl)phenyl]ethynyl]-4-pyridinyl]-3,7-dihydropyrrolo[2,3-d]pyrimidin-4-one (PubChem CID 135524089) has the molecular formula C24H21N5O2 and a molecular weight of 411.47 g/mol. Its IUPAC name is 6-[2-[2-[4-(morpholin-4-ylmethyl)phenyl]ethynyl]-4-pyridinyl]-3,7-dihydropyrrolo[2,3-d]pyrimidin-4-one.

Molecular Properties

Compound Name6-[2-[2-[4-(morpholin-4-ylmethyl)phenyl]ethynyl]-4-pyridinyl]-3,7-dihydropyrrolo[2,3-d]pyrimidin-4-one
PubChem CID135524089
Molecular FormulaC24H21N5O2
Molecular Weight411.47 g/mol
Exact Mass411.17
IUPAC Name6-[2-[2-[4-(morpholin-4-ylmethyl)phenyl]ethynyl]-4-pyridinyl]-3,7-dihydropyrrolo[2,3-d]pyrimidin-4-one
SMILESO=c1[nH]cnc2[nH]c(-c3ccnc(C#Cc4ccc(CN5CCOCC5)cc4)c3)cc12
InChIInChI=1S/C24H21N5O2/c30-24-21-14-22(28-23(21)26-16-27-24)19-7-8-25-20(13-19)6-5-17-1-3-18(4-2-17)15-29-9-11-31-12-10-29/h1-4,7-8,13-14,16H,9-12,15H2,(H2,26,27,28,30)
InChIKeySTTHMURQAVSFPT-UHFFFAOYSA-N
XLogP2.55
TPSA86.90 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.47
LogP ≤ 52.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

6-[2-[2-[4-(piperidin-1-ylmethyl)phenyl]ethenyl]-4-pyridinyl]-3,7-dihydropyrrolo[2,3-d]pyrimidin-4-one
CID 136601292
4-[2-(3-fluoropropylamino)-2-[4-[2-[4-(morpholin-4-ylmethyl)phenyl]ethynyl]phenyl]ethyl]-5-hydroxy-1H-pyrimidin-6-one
CID 146447182
2-[(5-hydroxy-6-oxo-1H-pyrimidin-4-yl)methyl]-6-[2-[4-(morpholin-4-ylmethyl)phenyl]ethynyl]-1H-pyrrolo[1,2-c]imidazol-3-one
CID 146617979
5-hydroxy-4-[[3-[4-[2-[4-(morpholin-4-ylmethyl)phenyl]ethynyl]phenyl]-4,5-dihydro-1,2-oxazol-4-yl]methyl]-1H-pyrimidin-6-one
CID 167451542
5-hydroxy-4-[3-hydroxy-1-[4-[2-[4-(morpholin-4-ylmethyl)phenyl]ethynyl]phenyl]butan-2-yl]-1H-pyrimidin-6-one
CID 137230290
4-[(2S)-3-[[(2R)-1-fluoropropan-2-yl]amino]-2-[4-[2-[4-(morpholin-4-ylmethyl)phenyl]ethynyl]phenyl]propyl]-5-hydroxy-1H-pyrimidin-6-one
CID 146447091
N-[(1S)-2-(5-hydroxy-6-oxo-1H-pyrimidin-4-yl)-1-[4-[2-[4-(morpholin-4-ylmethyl)phenyl]ethynyl]phenyl]ethyl]methanesulfonamide
CID 146447747
5-hydroxy-4-[[4-[4-[2-[4-(morpholin-4-ylmethyl)phenyl]ethynyl]phenyl]-2-oxoimidazolidin-1-yl]methyl]-1H-pyrimidin-6-one
CID 167451558
4-[1-(2-fluoroethylamino)-3-[4-[2-[5-(morpholin-4-ylmethyl)-2-pyridinyl]ethynyl]phenyl]propan-2-yl]-5-hydroxy-1H-pyrimidin-6-one
CID 146617392
N-[3-(5-hydroxy-6-oxo-1H-pyrimidin-4-yl)-2-[4-[2-[4-(morpholin-4-ylmethyl)phenyl]ethynyl]phenyl]propyl]acetamide
CID 146447116
5-hydroxy-4-[2-[4-[2-[4-(morpholin-4-ylmethyl)phenyl]ethynyl]piperidin-1-yl]-2-oxoethyl]-1H-pyrimidin-6-one
CID 146617976
5-hydroxy-4-[1-(1H-imidazol-5-yl)-3-[4-[2-[4-(morpholin-4-ylmethyl)phenyl]ethynyl]phenyl]propan-2-yl]-1H-pyrimidin-6-one
CID 142470956

Frequently Asked Questions

What is the IUPAC name of 6-[2-[2-[4-(morpholin-4-ylmethyl)phenyl]ethynyl]-4-pyridinyl]-3,7-dihydropyrrolo[2,3-d]pyrimidin-4-one?
The IUPAC name of 6-[2-[2-[4-(morpholin-4-ylmethyl)phenyl]ethynyl]-4-pyridinyl]-3,7-dihydropyrrolo[2,3-d]pyrimidin-4-one (CID 135524089) is 6-[2-[2-[4-(morpholin-4-ylmethyl)phenyl]ethynyl]-4-pyridinyl]-3,7-dihydropyrrolo[2,3-d]pyrimidin-4-one.
What is the SMILES notation for 6-[2-[2-[4-(morpholin-4-ylmethyl)phenyl]ethynyl]-4-pyridinyl]-3,7-dihydropyrrolo[2,3-d]pyrimidin-4-one?
The canonical SMILES for 6-[2-[2-[4-(morpholin-4-ylmethyl)phenyl]ethynyl]-4-pyridinyl]-3,7-dihydropyrrolo[2,3-d]pyrimidin-4-one is O=c1[nH]cnc2[nH]c(-c3ccnc(C#Cc4ccc(CN5CCOCC5)cc4)c3)cc12.
What is the InChIKey of 6-[2-[2-[4-(morpholin-4-ylmethyl)phenyl]ethynyl]-4-pyridinyl]-3,7-dihydropyrrolo[2,3-d]pyrimidin-4-one?
The InChIKey is STTHMURQAVSFPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21N5O2/c30-24-21-14-22(28-23(21)26-16-27-24)19-7-8-25-20(13-19)6-5-17-1-3-18(4-2-17)15-29-9-11-31-12-10-29/h1-4,7-8,13-14,16H,9-12,15H2,(H2,26,27,28,30).
What are the key properties of 6-[2-[2-[4-(morpholin-4-ylmethyl)phenyl]ethynyl]-4-pyridinyl]-3,7-dihydropyrrolo[2,3-d]pyrimidin-4-one?
6-[2-[2-[4-(morpholin-4-ylmethyl)phenyl]ethynyl]-4-pyridinyl]-3,7-dihydropyrrolo[2,3-d]pyrimidin-4-one has a molecular weight of 411.47 g/mol, XLogP of 2.55, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-[2-[4-(morpholin-4-ylmethyl)phenyl]ethynyl]-4-pyridinyl]-3,7-dihydropyrrolo[2,3-d]pyrimidin-4-one is sourced from PubChem (CID 135524089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).