7-[1-[2-(2-fluorophenyl)-3H-pyrrol-4-yl]ethyl]-5-(2H-pyrrol-5-yl)pyrrolo[2,3-d]pyrimidin-4-amine

C22H19FN6 — CID 160628160

IUPAC7-[1-[2-(2-fluorophenyl)-3H-pyrrol-4-yl]ethyl]-5-(2H-pyrrol-5-yl)pyrrolo[2,3-d]pyrimidin-4-amine
SMILESCC(C1=CN=C(c2ccccc2F)C1)n1cc(C2=NCC=C2)c2c(N)ncnc21
InChIInChI=1S/C22H19FN6/c1-13(14-9-19(26-10-14)15-5-2-3-6-17(15)23)29-11-16(18-7-4-8-25-18)20-21(24)27-12-28-22(20)29/h2-7,10-13H,8-9H2,1H3,(H2,24,27,28)
InChIKeyRHOOGUOLARDVIS-UHFFFAOYSA-N
MW386.43 g/mol
LogP3.85
Rot. Bonds4

About 7-[1-[2-(2-fluorophenyl)-3H-pyrrol-4-yl]ethyl]-5-(2H-pyrrol-5-yl)pyrrolo[2,3-d]pyrimidin-4-amine

7-[1-[2-(2-fluorophenyl)-3H-pyrrol-4-yl]ethyl]-5-(2H-pyrrol-5-yl)pyrrolo[2,3-d]pyrimidin-4-amine (PubChem CID 160628160) has the molecular formula C22H19FN6 and a molecular weight of 386.43 g/mol. Its IUPAC name is 7-[1-[2-(2-fluorophenyl)-3H-pyrrol-4-yl]ethyl]-5-(2H-pyrrol-5-yl)pyrrolo[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound Name7-[1-[2-(2-fluorophenyl)-3H-pyrrol-4-yl]ethyl]-5-(2H-pyrrol-5-yl)pyrrolo[2,3-d]pyrimidin-4-amine
PubChem CID160628160
Molecular FormulaC22H19FN6
Molecular Weight386.43 g/mol
Exact Mass386.17
IUPAC Name7-[1-[2-(2-fluorophenyl)-3H-pyrrol-4-yl]ethyl]-5-(2H-pyrrol-5-yl)pyrrolo[2,3-d]pyrimidin-4-amine
SMILESCC(C1=CN=C(c2ccccc2F)C1)n1cc(C2=NCC=C2)c2c(N)ncnc21
InChIInChI=1S/C22H19FN6/c1-13(14-9-19(26-10-14)15-5-2-3-6-17(15)23)29-11-16(18-7-4-8-25-18)20-21(24)27-12-28-22(20)29/h2-7,10-13H,8-9H2,1H3,(H2,24,27,28)
InChIKeyRHOOGUOLARDVIS-UHFFFAOYSA-N
XLogP3.85
TPSA81.45 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.43
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 7-[1-[2-(2-fluorophenyl)-3H-pyrrol-4-yl]ethyl]-5-(2H-pyrrol-5-yl)pyrrolo[2,3-d]pyrimidin-4-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 7-[1-[2-(2-fluorophenyl)-3H-pyrrol-4-yl]ethyl]-5-(2H-pyrrol-5-yl)pyrrolo[2,3-d]pyrimidin-4-amine?
The IUPAC name of 7-[1-[2-(2-fluorophenyl)-3H-pyrrol-4-yl]ethyl]-5-(2H-pyrrol-5-yl)pyrrolo[2,3-d]pyrimidin-4-amine (CID 160628160) is 7-[1-[2-(2-fluorophenyl)-3H-pyrrol-4-yl]ethyl]-5-(2H-pyrrol-5-yl)pyrrolo[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for 7-[1-[2-(2-fluorophenyl)-3H-pyrrol-4-yl]ethyl]-5-(2H-pyrrol-5-yl)pyrrolo[2,3-d]pyrimidin-4-amine?
The canonical SMILES for 7-[1-[2-(2-fluorophenyl)-3H-pyrrol-4-yl]ethyl]-5-(2H-pyrrol-5-yl)pyrrolo[2,3-d]pyrimidin-4-amine is CC(C1=CN=C(c2ccccc2F)C1)n1cc(C2=NCC=C2)c2c(N)ncnc21.
What is the InChIKey of 7-[1-[2-(2-fluorophenyl)-3H-pyrrol-4-yl]ethyl]-5-(2H-pyrrol-5-yl)pyrrolo[2,3-d]pyrimidin-4-amine?
The InChIKey is RHOOGUOLARDVIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19FN6/c1-13(14-9-19(26-10-14)15-5-2-3-6-17(15)23)29-11-16(18-7-4-8-25-18)20-21(24)27-12-28-22(20)29/h2-7,10-13H,8-9H2,1H3,(H2,24,27,28).
What are the key properties of 7-[1-[2-(2-fluorophenyl)-3H-pyrrol-4-yl]ethyl]-5-(2H-pyrrol-5-yl)pyrrolo[2,3-d]pyrimidin-4-amine?
7-[1-[2-(2-fluorophenyl)-3H-pyrrol-4-yl]ethyl]-5-(2H-pyrrol-5-yl)pyrrolo[2,3-d]pyrimidin-4-amine has a molecular weight of 386.43 g/mol, XLogP of 3.85, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[1-[2-(2-fluorophenyl)-3H-pyrrol-4-yl]ethyl]-5-(2H-pyrrol-5-yl)pyrrolo[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 160628160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).