4-[2-(4-fluorophenyl)-5-(indol-1-ylmethyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]pyrimidin-2-amine

C25H21FN6 — CID 71137521

IUPAC4-[2-(4-fluorophenyl)-5-(indol-1-ylmethyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]pyrimidin-2-amine
SMILESNc1nccc(-c2c(-c3ccc(F)cc3)nc3n2C(Cn2ccc4ccccc42)CC3)n1
InChIInChI=1S/C25H21FN6/c26-18-7-5-17(6-8-18)23-24(20-11-13-28-25(27)29-20)32-19(9-10-22(32)30-23)15-31-14-12-16-3-1-2-4-21(16)31/h1-8,11-14,19H,9-10,15H2,(H2,27,28,29)
InChIKeyQJGDFMWECPTQAN-UHFFFAOYSA-N
MW424.48 g/mol
LogP4.87
Rot. Bonds4

About 4-[2-(4-fluorophenyl)-5-(indol-1-ylmethyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]pyrimidin-2-amine

4-[2-(4-fluorophenyl)-5-(indol-1-ylmethyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]pyrimidin-2-amine (PubChem CID 71137521) has the molecular formula C25H21FN6 and a molecular weight of 424.48 g/mol. Its IUPAC name is 4-[2-(4-fluorophenyl)-5-(indol-1-ylmethyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]pyrimidin-2-amine.

Molecular Properties

Compound Name4-[2-(4-fluorophenyl)-5-(indol-1-ylmethyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]pyrimidin-2-amine
PubChem CID71137521
Molecular FormulaC25H21FN6
Molecular Weight424.48 g/mol
Exact Mass424.18
IUPAC Name4-[2-(4-fluorophenyl)-5-(indol-1-ylmethyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]pyrimidin-2-amine
SMILESNc1nccc(-c2c(-c3ccc(F)cc3)nc3n2C(Cn2ccc4ccccc42)CC3)n1
InChIInChI=1S/C25H21FN6/c26-18-7-5-17(6-8-18)23-24(20-11-13-28-25(27)29-20)32-19(9-10-22(32)30-23)15-31-14-12-16-3-1-2-4-21(16)31/h1-8,11-14,19H,9-10,15H2,(H2,27,28,29)
InChIKeyQJGDFMWECPTQAN-UHFFFAOYSA-N
XLogP4.87
TPSA74.55 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.48
LogP ≤ 54.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 4-[2-(4-fluorophenyl)-5-(indol-1-ylmethyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]pyrimidin-2-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 4-[2-(4-fluorophenyl)-5-(indol-1-ylmethyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]pyrimidin-2-amine?
The IUPAC name of 4-[2-(4-fluorophenyl)-5-(indol-1-ylmethyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]pyrimidin-2-amine (CID 71137521) is 4-[2-(4-fluorophenyl)-5-(indol-1-ylmethyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]pyrimidin-2-amine.
What is the SMILES notation for 4-[2-(4-fluorophenyl)-5-(indol-1-ylmethyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]pyrimidin-2-amine?
The canonical SMILES for 4-[2-(4-fluorophenyl)-5-(indol-1-ylmethyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]pyrimidin-2-amine is Nc1nccc(-c2c(-c3ccc(F)cc3)nc3n2C(Cn2ccc4ccccc42)CC3)n1.
What is the InChIKey of 4-[2-(4-fluorophenyl)-5-(indol-1-ylmethyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]pyrimidin-2-amine?
The InChIKey is QJGDFMWECPTQAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H21FN6/c26-18-7-5-17(6-8-18)23-24(20-11-13-28-25(27)29-20)32-19(9-10-22(32)30-23)15-31-14-12-16-3-1-2-4-21(16)31/h1-8,11-14,19H,9-10,15H2,(H2,27,28,29).
What are the key properties of 4-[2-(4-fluorophenyl)-5-(indol-1-ylmethyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]pyrimidin-2-amine?
4-[2-(4-fluorophenyl)-5-(indol-1-ylmethyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]pyrimidin-2-amine has a molecular weight of 424.48 g/mol, XLogP of 4.87, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(4-fluorophenyl)-5-(indol-1-ylmethyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]pyrimidin-2-amine is sourced from PubChem (CID 71137521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).