1-[7-(4-chlorophenyl)-2-[(5-piperazin-1-yl-2-pyridinyl)amino]pyrrolo[2,1-f][1,2,4]triazin-6-yl]pyrrolidin-2-one

C25H25ClN8O — CID 166562940

IUPAC1-[7-(4-chlorophenyl)-2-[(5-piperazin-1-yl-2-pyridinyl)amino]pyrrolo[2,1-f][1,2,4]triazin-6-yl]pyrrolidin-2-one
SMILESO=C1CCCN1c1cc2cnc(Nc3ccc(N4CCNCC4)cn3)nn2c1-c1ccc(Cl)cc1
InChIInChI=1S/C25H25ClN8O/c26-18-5-3-17(4-6-18)24-21(33-11-1-2-23(33)35)14-20-16-29-25(31-34(20)24)30-22-8-7-19(15-28-22)32-12-9-27-10-13-32/h3-8,14-16,27H,1-2,9-13H2,(H,28,30,31)
InChIKeySBEUDPZHFFCKLW-UHFFFAOYSA-N
MW488.98 g/mol
LogP3.72
Rot. Bonds5

About 1-[7-(4-chlorophenyl)-2-[(5-piperazin-1-yl-2-pyridinyl)amino]pyrrolo[2,1-f][1,2,4]triazin-6-yl]pyrrolidin-2-one

1-[7-(4-chlorophenyl)-2-[(5-piperazin-1-yl-2-pyridinyl)amino]pyrrolo[2,1-f][1,2,4]triazin-6-yl]pyrrolidin-2-one (PubChem CID 166562940) has the molecular formula C25H25ClN8O and a molecular weight of 488.98 g/mol. Its IUPAC name is 1-[7-(4-chlorophenyl)-2-[(5-piperazin-1-yl-2-pyridinyl)amino]pyrrolo[2,1-f][1,2,4]triazin-6-yl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-[7-(4-chlorophenyl)-2-[(5-piperazin-1-yl-2-pyridinyl)amino]pyrrolo[2,1-f][1,2,4]triazin-6-yl]pyrrolidin-2-one
PubChem CID166562940
Molecular FormulaC25H25ClN8O
Molecular Weight488.98 g/mol
Exact Mass488.18
IUPAC Name1-[7-(4-chlorophenyl)-2-[(5-piperazin-1-yl-2-pyridinyl)amino]pyrrolo[2,1-f][1,2,4]triazin-6-yl]pyrrolidin-2-one
SMILESO=C1CCCN1c1cc2cnc(Nc3ccc(N4CCNCC4)cn3)nn2c1-c1ccc(Cl)cc1
InChIInChI=1S/C25H25ClN8O/c26-18-5-3-17(4-6-18)24-21(33-11-1-2-23(33)35)14-20-16-29-25(31-34(20)24)30-22-8-7-19(15-28-22)32-12-9-27-10-13-32/h3-8,14-16,27H,1-2,9-13H2,(H,28,30,31)
InChIKeySBEUDPZHFFCKLW-UHFFFAOYSA-N
XLogP3.72
TPSA90.69 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500488.98
LogP ≤ 53.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 1-[7-(4-chlorophenyl)-2-[(5-piperazin-1-yl-2-pyridinyl)amino]pyrrolo[2,1-f][1,2,4]triazin-6-yl]pyrrolidin-2-one 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 1-[7-(4-chlorophenyl)-2-[(5-piperazin-1-yl-2-pyridinyl)amino]pyrrolo[2,1-f][1,2,4]triazin-6-yl]pyrrolidin-2-one?
The IUPAC name of 1-[7-(4-chlorophenyl)-2-[(5-piperazin-1-yl-2-pyridinyl)amino]pyrrolo[2,1-f][1,2,4]triazin-6-yl]pyrrolidin-2-one (CID 166562940) is 1-[7-(4-chlorophenyl)-2-[(5-piperazin-1-yl-2-pyridinyl)amino]pyrrolo[2,1-f][1,2,4]triazin-6-yl]pyrrolidin-2-one.
What is the SMILES notation for 1-[7-(4-chlorophenyl)-2-[(5-piperazin-1-yl-2-pyridinyl)amino]pyrrolo[2,1-f][1,2,4]triazin-6-yl]pyrrolidin-2-one?
The canonical SMILES for 1-[7-(4-chlorophenyl)-2-[(5-piperazin-1-yl-2-pyridinyl)amino]pyrrolo[2,1-f][1,2,4]triazin-6-yl]pyrrolidin-2-one is O=C1CCCN1c1cc2cnc(Nc3ccc(N4CCNCC4)cn3)nn2c1-c1ccc(Cl)cc1.
What is the InChIKey of 1-[7-(4-chlorophenyl)-2-[(5-piperazin-1-yl-2-pyridinyl)amino]pyrrolo[2,1-f][1,2,4]triazin-6-yl]pyrrolidin-2-one?
The InChIKey is SBEUDPZHFFCKLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25ClN8O/c26-18-5-3-17(4-6-18)24-21(33-11-1-2-23(33)35)14-20-16-29-25(31-34(20)24)30-22-8-7-19(15-28-22)32-12-9-27-10-13-32/h3-8,14-16,27H,1-2,9-13H2,(H,28,30,31).
What are the key properties of 1-[7-(4-chlorophenyl)-2-[(5-piperazin-1-yl-2-pyridinyl)amino]pyrrolo[2,1-f][1,2,4]triazin-6-yl]pyrrolidin-2-one?
1-[7-(4-chlorophenyl)-2-[(5-piperazin-1-yl-2-pyridinyl)amino]pyrrolo[2,1-f][1,2,4]triazin-6-yl]pyrrolidin-2-one has a molecular weight of 488.98 g/mol, XLogP of 3.72, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[7-(4-chlorophenyl)-2-[(5-piperazin-1-yl-2-pyridinyl)amino]pyrrolo[2,1-f][1,2,4]triazin-6-yl]pyrrolidin-2-one is sourced from PubChem (CID 166562940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).