7-(4-fluorophenyl)-N,5-diphenylpyrrolo[2,3-d]pyrimidin-4-amine

C24H17FN4 — CID 3391969

IUPAC7-(4-fluorophenyl)-N,5-diphenylpyrrolo[2,3-d]pyrimidin-4-amine
SMILESFc1ccc(-n2cc(-c3ccccc3)c3c(Nc4ccccc4)ncnc32)cc1
InChIInChI=1S/C24H17FN4/c25-18-11-13-20(14-12-18)29-15-21(17-7-3-1-4-8-17)22-23(26-16-27-24(22)29)28-19-9-5-2-6-10-19/h1-16H,(H,26,27,28)
InChIKeyIHIAJFFBZBEPNG-UHFFFAOYSA-N
MW380.43 g/mol
LogP5.97
Rot. Bonds4

About 7-(4-fluorophenyl)-N,5-diphenylpyrrolo[2,3-d]pyrimidin-4-amine

7-(4-fluorophenyl)-N,5-diphenylpyrrolo[2,3-d]pyrimidin-4-amine (PubChem CID 3391969) has the molecular formula C24H17FN4 and a molecular weight of 380.43 g/mol. Its IUPAC name is 7-(4-fluorophenyl)-N,5-diphenylpyrrolo[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound Name7-(4-fluorophenyl)-N,5-diphenylpyrrolo[2,3-d]pyrimidin-4-amine
PubChem CID3391969
Molecular FormulaC24H17FN4
Molecular Weight380.43 g/mol
Exact Mass380.14
IUPAC Name7-(4-fluorophenyl)-N,5-diphenylpyrrolo[2,3-d]pyrimidin-4-amine
SMILESFc1ccc(-n2cc(-c3ccccc3)c3c(Nc4ccccc4)ncnc32)cc1
InChIInChI=1S/C24H17FN4/c25-18-11-13-20(14-12-18)29-15-21(17-7-3-1-4-8-17)22-23(26-16-27-24(22)29)28-19-9-5-2-6-10-19/h1-16H,(H,26,27,28)
InChIKeyIHIAJFFBZBEPNG-UHFFFAOYSA-N
XLogP5.97
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500380.43
LogP ≤ 55.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

CID 53262401
CID 53262401
CID 5359646
CID 5359646
CID 5311055
CID 5311055
CID 3000181
CID 3000181
CID 11545419
CID 11545419
CID 10133248
CID 10133248
CID 135283800
CID 135283800
CID 10249182
CID 10249182
CID 15953860
CID 15953860
CID 10537176
CID 10537176
CID 46205968
CID 46205968
CID 354471
CID 354471

Frequently Asked Questions

What is the IUPAC name of 7-(4-fluorophenyl)-N,5-diphenylpyrrolo[2,3-d]pyrimidin-4-amine?
The IUPAC name of 7-(4-fluorophenyl)-N,5-diphenylpyrrolo[2,3-d]pyrimidin-4-amine (CID 3391969) is 7-(4-fluorophenyl)-N,5-diphenylpyrrolo[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for 7-(4-fluorophenyl)-N,5-diphenylpyrrolo[2,3-d]pyrimidin-4-amine?
The canonical SMILES for 7-(4-fluorophenyl)-N,5-diphenylpyrrolo[2,3-d]pyrimidin-4-amine is Fc1ccc(-n2cc(-c3ccccc3)c3c(Nc4ccccc4)ncnc32)cc1.
What is the InChIKey of 7-(4-fluorophenyl)-N,5-diphenylpyrrolo[2,3-d]pyrimidin-4-amine?
The InChIKey is IHIAJFFBZBEPNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H17FN4/c25-18-11-13-20(14-12-18)29-15-21(17-7-3-1-4-8-17)22-23(26-16-27-24(22)29)28-19-9-5-2-6-10-19/h1-16H,(H,26,27,28).
What are the key properties of 7-(4-fluorophenyl)-N,5-diphenylpyrrolo[2,3-d]pyrimidin-4-amine?
7-(4-fluorophenyl)-N,5-diphenylpyrrolo[2,3-d]pyrimidin-4-amine has a molecular weight of 380.43 g/mol, XLogP of 5.97, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(4-fluorophenyl)-N,5-diphenylpyrrolo[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 3391969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).