6-[2-(4-fluorophenyl)-4-pyridinyl]-3,7-dihydropyrrolo[2,3-d]pyrimidin-4-one

C17H11FN4O — CID 135524105

IUPAC6-[2-(4-fluorophenyl)-4-pyridinyl]-3,7-dihydropyrrolo[2,3-d]pyrimidin-4-one
SMILESO=c1[nH]cnc2[nH]c(-c3ccnc(-c4ccc(F)cc4)c3)cc12
InChIInChI=1S/C17H11FN4O/c18-12-3-1-10(2-4-12)14-7-11(5-6-19-14)15-8-13-16(22-15)20-9-21-17(13)23/h1-9H,(H2,20,21,22,23)
InChIKeyRXGFMJRWVVXOQS-UHFFFAOYSA-N
MW306.30 g/mol
LogP3.12
Rot. Bonds2

About 6-[2-(4-fluorophenyl)-4-pyridinyl]-3,7-dihydropyrrolo[2,3-d]pyrimidin-4-one

6-[2-(4-fluorophenyl)-4-pyridinyl]-3,7-dihydropyrrolo[2,3-d]pyrimidin-4-one (PubChem CID 135524105) has the molecular formula C17H11FN4O and a molecular weight of 306.30 g/mol. Its IUPAC name is 6-[2-(4-fluorophenyl)-4-pyridinyl]-3,7-dihydropyrrolo[2,3-d]pyrimidin-4-one.

Molecular Properties

Compound Name6-[2-(4-fluorophenyl)-4-pyridinyl]-3,7-dihydropyrrolo[2,3-d]pyrimidin-4-one
PubChem CID135524105
Molecular FormulaC17H11FN4O
Molecular Weight306.30 g/mol
Exact Mass306.09
IUPAC Name6-[2-(4-fluorophenyl)-4-pyridinyl]-3,7-dihydropyrrolo[2,3-d]pyrimidin-4-one
SMILESO=c1[nH]cnc2[nH]c(-c3ccnc(-c4ccc(F)cc4)c3)cc12
InChIInChI=1S/C17H11FN4O/c18-12-3-1-10(2-4-12)14-7-11(5-6-19-14)15-8-13-16(22-15)20-9-21-17(13)23/h1-9H,(H2,20,21,22,23)
InChIKeyRXGFMJRWVVXOQS-UHFFFAOYSA-N
XLogP3.12
TPSA74.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.30
LogP ≤ 53.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-(2-Fluorophenyl)pyridin-4-YL)-1,5,6,7-tetrahydro-4H-pyrrolo(3,2-C)pyridin-4-one
CID 11992146
(7S)-2-(2-aminopyrimidin-4-yl)-7-(2-fluoroethyl)-1,5,6,7-tetrahydro-4H-pyrrolo[3,2-c]pyridin-4-one
CID 16757525
(7R)-2-(2-aminopyrimidin-4-yl)-7-(2-fluoroethyl)-1H,4H,5H,6H,7H-pyrrolo[3,2-c]pyridin-4-one
CID 25190896
2-amino-5-(2-phenylethyl)-3,7-dihydro-4H-pyrrolo[2,3-d]pyrimidin-4-one
CID 135531129
Dipyridodiazepinone deriv. 42
CID 463562
2-ethyl-9-methyl-13-(2-phenylethyl)-5-(1H-pyrrol-2-yl)-2,4,9,15-tetraazatricyclo[9.4.0.0^{3,8}]pentadeca-1(15),3(8),4,6,11,13-hexaen-10-one
CID 470743
2-(pyrimidin-4-yl)-1H,4H,5H,6H,7H-pyrrolo[3,2-c]pyridin-4-one
CID 11149391
2-(2-aminopyrimidin-4-yl)-7-methyl-1H,4H,5H,6H,7H-pyrrolo[3,2-c]pyridin-4-one
CID 11207259
2-(2-aminopyrimidin-4-yl)-7-phenyl-1H,4H,5H,6H,7H-pyrrolo[3,2-c]pyridin-4-one
CID 11210036
2-[2-(benzylamino)pyrimidin-4-yl]-1H,4H,5H,6H,7H-pyrrolo[3,2-c]pyridin-4-one
CID 11267154
2-[2-(phenylamino)pyrimidin-4-yl]-1H,4H,5H,6H,7H-pyrrolo[3,2-c]pyridin-4-one
CID 11267850
2-(2-Amino-pyrimidin-4-yl)-1,5,6,7-tetrahydro-pyrrolo[3,2-c]pyridin-4-one
CID 11300082

Frequently Asked Questions

What is the IUPAC name of 6-[2-(4-fluorophenyl)-4-pyridinyl]-3,7-dihydropyrrolo[2,3-d]pyrimidin-4-one?
The IUPAC name of 6-[2-(4-fluorophenyl)-4-pyridinyl]-3,7-dihydropyrrolo[2,3-d]pyrimidin-4-one (CID 135524105) is 6-[2-(4-fluorophenyl)-4-pyridinyl]-3,7-dihydropyrrolo[2,3-d]pyrimidin-4-one.
What is the SMILES notation for 6-[2-(4-fluorophenyl)-4-pyridinyl]-3,7-dihydropyrrolo[2,3-d]pyrimidin-4-one?
The canonical SMILES for 6-[2-(4-fluorophenyl)-4-pyridinyl]-3,7-dihydropyrrolo[2,3-d]pyrimidin-4-one is O=c1[nH]cnc2[nH]c(-c3ccnc(-c4ccc(F)cc4)c3)cc12.
What is the InChIKey of 6-[2-(4-fluorophenyl)-4-pyridinyl]-3,7-dihydropyrrolo[2,3-d]pyrimidin-4-one?
The InChIKey is RXGFMJRWVVXOQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11FN4O/c18-12-3-1-10(2-4-12)14-7-11(5-6-19-14)15-8-13-16(22-15)20-9-21-17(13)23/h1-9H,(H2,20,21,22,23).
What are the key properties of 6-[2-(4-fluorophenyl)-4-pyridinyl]-3,7-dihydropyrrolo[2,3-d]pyrimidin-4-one?
6-[2-(4-fluorophenyl)-4-pyridinyl]-3,7-dihydropyrrolo[2,3-d]pyrimidin-4-one has a molecular weight of 306.30 g/mol, XLogP of 3.12, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-(4-fluorophenyl)-4-pyridinyl]-3,7-dihydropyrrolo[2,3-d]pyrimidin-4-one is sourced from PubChem (CID 135524105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).