4-(4-fluorophenyl)-5-(4-methoxyphenyl)pyrrolo[3,2-d]pyrimidine-7-carbonitrile

C20H13FN4O — CID 4904403

IUPAC4-(4-fluorophenyl)-5-(4-methoxyphenyl)pyrrolo[3,2-d]pyrimidine-7-carbonitrile
SMILESCOc1ccc(-n2cc(C#N)c3ncnc(-c4ccc(F)cc4)c32)cc1
InChIInChI=1S/C20H13FN4O/c1-26-17-8-6-16(7-9-17)25-11-14(10-22)19-20(25)18(23-12-24-19)13-2-4-15(21)5-3-13/h2-9,11-12H,1H3
InChIKeyYUKIWFJTQIFXEY-UHFFFAOYSA-N
MW344.35 g/mol
LogP4.11
Rot. Bonds3

About 4-(4-fluorophenyl)-5-(4-methoxyphenyl)pyrrolo[3,2-d]pyrimidine-7-carbonitrile

4-(4-fluorophenyl)-5-(4-methoxyphenyl)pyrrolo[3,2-d]pyrimidine-7-carbonitrile (PubChem CID 4904403) has the molecular formula C20H13FN4O and a molecular weight of 344.35 g/mol. Its IUPAC name is 4-(4-fluorophenyl)-5-(4-methoxyphenyl)pyrrolo[3,2-d]pyrimidine-7-carbonitrile.

Molecular Properties

Compound Name4-(4-fluorophenyl)-5-(4-methoxyphenyl)pyrrolo[3,2-d]pyrimidine-7-carbonitrile
PubChem CID4904403
Molecular FormulaC20H13FN4O
Molecular Weight344.35 g/mol
Exact Mass344.11
IUPAC Name4-(4-fluorophenyl)-5-(4-methoxyphenyl)pyrrolo[3,2-d]pyrimidine-7-carbonitrile
SMILESCOc1ccc(-n2cc(C#N)c3ncnc(-c4ccc(F)cc4)c32)cc1
InChIInChI=1S/C20H13FN4O/c1-26-17-8-6-16(7-9-17)25-11-14(10-22)19-20(25)18(23-12-24-19)13-2-4-15(21)5-3-13/h2-9,11-12H,1H3
InChIKeyYUKIWFJTQIFXEY-UHFFFAOYSA-N
XLogP4.11
TPSA63.73 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.35
LogP ≤ 54.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

5-(4-fluorophenyl)-4-(4-methoxyphenyl)pyrrolo[3,2-d]pyrimidine-7-carbonitrile
CID 4911374
4-(3,4-dimethoxyphenyl)-5-phenylpyrrolo[3,2-d]pyrimidine-7-carbonitrile
CID 4904067
5-(4-acetylphenyl)-4-(3-methoxyphenyl)pyrrolo[3,2-d]pyrimidine-7-carbonitrile
CID 4974186
3-(difluoromethyl)-1-(4-fluorophenyl)-5-(4-methoxyphenyl)pyrazole-4-carbonitrile
CID 163213032
1-(4-methoxyphenyl)-2,4-dioxopyrimidine-5-carbonitrile
CID 608339
1-(4-fluorophenyl)-2-(7-methoxynaphthalen-2-yl)imidazole
CID 175883795
3-(4-fluorophenyl)-7-[4-(4-methoxyphenyl)piperazin-1-yl]-[1,2]thiazolo[4,5-d]pyrimidine
CID 1468978
4-fluoro-2-(4-methoxyphenyl)benzonitrile
CID 67042916
7-fluoro-4-(4-methoxyphenyl)quinazoline
CID 132520825
4-amino-5-fluoro-1-(4-methoxyphenyl)pyrimidin-2-one
CID 58166407
5-amino-1-(4-methoxyphenyl)pyrazole-4-carbonitrile
CID 2763873
2-amino-5-[[5-amino-4-cyano-3-(4-fluorophenyl)-1-(4-methoxyphenyl)pyrrol-2-yl]disulfanyl]-4-(4-fluorophenyl)-1-(4-methoxyphenyl)pyrrole-3-carbonitrile
CID 44517380

Frequently Asked Questions

What is the IUPAC name of 4-(4-fluorophenyl)-5-(4-methoxyphenyl)pyrrolo[3,2-d]pyrimidine-7-carbonitrile?
The IUPAC name of 4-(4-fluorophenyl)-5-(4-methoxyphenyl)pyrrolo[3,2-d]pyrimidine-7-carbonitrile (CID 4904403) is 4-(4-fluorophenyl)-5-(4-methoxyphenyl)pyrrolo[3,2-d]pyrimidine-7-carbonitrile.
What is the SMILES notation for 4-(4-fluorophenyl)-5-(4-methoxyphenyl)pyrrolo[3,2-d]pyrimidine-7-carbonitrile?
The canonical SMILES for 4-(4-fluorophenyl)-5-(4-methoxyphenyl)pyrrolo[3,2-d]pyrimidine-7-carbonitrile is COc1ccc(-n2cc(C#N)c3ncnc(-c4ccc(F)cc4)c32)cc1.
What is the InChIKey of 4-(4-fluorophenyl)-5-(4-methoxyphenyl)pyrrolo[3,2-d]pyrimidine-7-carbonitrile?
The InChIKey is YUKIWFJTQIFXEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H13FN4O/c1-26-17-8-6-16(7-9-17)25-11-14(10-22)19-20(25)18(23-12-24-19)13-2-4-15(21)5-3-13/h2-9,11-12H,1H3.
What are the key properties of 4-(4-fluorophenyl)-5-(4-methoxyphenyl)pyrrolo[3,2-d]pyrimidine-7-carbonitrile?
4-(4-fluorophenyl)-5-(4-methoxyphenyl)pyrrolo[3,2-d]pyrimidine-7-carbonitrile has a molecular weight of 344.35 g/mol, XLogP of 4.11, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-fluorophenyl)-5-(4-methoxyphenyl)pyrrolo[3,2-d]pyrimidine-7-carbonitrile is sourced from PubChem (CID 4904403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).