6-fluoro-2-[4-[5-(methylamino)pyrazin-2-yl]piperazin-1-yl]-1H-benzimidazole-4-carboxamide

C17H19FN8O — CID 142771048

IUPAC6-fluoro-2-[4-[5-(methylamino)pyrazin-2-yl]piperazin-1-yl]-1H-benzimidazole-4-carboxamide
SMILESCNc1cnc(N2CCN(c3nc4c(C(N)=O)cc(F)cc4[nH]3)CC2)cn1
InChIInChI=1S/C17H19FN8O/c1-20-13-8-22-14(9-21-13)25-2-4-26(5-3-25)17-23-12-7-10(18)6-11(16(19)27)15(12)24-17/h6-9H,2-5H2,1H3,(H2,19,27)(H,20,21)(H,23,24)
InChIKeyAOAMZSIWFTXFDY-UHFFFAOYSA-N
MW370.39 g/mol
LogP0.96
Rot. Bonds4

About 6-fluoro-2-[4-[5-(methylamino)pyrazin-2-yl]piperazin-1-yl]-1H-benzimidazole-4-carboxamide

6-fluoro-2-[4-[5-(methylamino)pyrazin-2-yl]piperazin-1-yl]-1H-benzimidazole-4-carboxamide (PubChem CID 142771048) has the molecular formula C17H19FN8O and a molecular weight of 370.39 g/mol. Its IUPAC name is 6-fluoro-2-[4-[5-(methylamino)pyrazin-2-yl]piperazin-1-yl]-1H-benzimidazole-4-carboxamide.

Molecular Properties

Compound Name6-fluoro-2-[4-[5-(methylamino)pyrazin-2-yl]piperazin-1-yl]-1H-benzimidazole-4-carboxamide
PubChem CID142771048
Molecular FormulaC17H19FN8O
Molecular Weight370.39 g/mol
Exact Mass370.17
IUPAC Name6-fluoro-2-[4-[5-(methylamino)pyrazin-2-yl]piperazin-1-yl]-1H-benzimidazole-4-carboxamide
SMILESCNc1cnc(N2CCN(c3nc4c(C(N)=O)cc(F)cc4[nH]3)CC2)cn1
InChIInChI=1S/C17H19FN8O/c1-20-13-8-22-14(9-21-13)25-2-4-26(5-3-25)17-23-12-7-10(18)6-11(16(19)27)15(12)24-17/h6-9H,2-5H2,1H3,(H2,19,27)(H,20,21)(H,23,24)
InChIKeyAOAMZSIWFTXFDY-UHFFFAOYSA-N
XLogP0.96
TPSA116.06 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.39
LogP ≤ 50.96
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze 6-fluoro-2-[4-[5-(methylamino)pyrazin-2-yl]piperazin-1-yl]-1H-benzimidazole-4-carboxamide 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 6-fluoro-2-[4-[5-(methylamino)pyrazin-2-yl]piperazin-1-yl]-1H-benzimidazole-4-carboxamide?
The IUPAC name of 6-fluoro-2-[4-[5-(methylamino)pyrazin-2-yl]piperazin-1-yl]-1H-benzimidazole-4-carboxamide (CID 142771048) is 6-fluoro-2-[4-[5-(methylamino)pyrazin-2-yl]piperazin-1-yl]-1H-benzimidazole-4-carboxamide.
What is the SMILES notation for 6-fluoro-2-[4-[5-(methylamino)pyrazin-2-yl]piperazin-1-yl]-1H-benzimidazole-4-carboxamide?
The canonical SMILES for 6-fluoro-2-[4-[5-(methylamino)pyrazin-2-yl]piperazin-1-yl]-1H-benzimidazole-4-carboxamide is CNc1cnc(N2CCN(c3nc4c(C(N)=O)cc(F)cc4[nH]3)CC2)cn1.
What is the InChIKey of 6-fluoro-2-[4-[5-(methylamino)pyrazin-2-yl]piperazin-1-yl]-1H-benzimidazole-4-carboxamide?
The InChIKey is AOAMZSIWFTXFDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19FN8O/c1-20-13-8-22-14(9-21-13)25-2-4-26(5-3-25)17-23-12-7-10(18)6-11(16(19)27)15(12)24-17/h6-9H,2-5H2,1H3,(H2,19,27)(H,20,21)(H,23,24).
What are the key properties of 6-fluoro-2-[4-[5-(methylamino)pyrazin-2-yl]piperazin-1-yl]-1H-benzimidazole-4-carboxamide?
6-fluoro-2-[4-[5-(methylamino)pyrazin-2-yl]piperazin-1-yl]-1H-benzimidazole-4-carboxamide has a molecular weight of 370.39 g/mol, XLogP of 0.96, 4 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-2-[4-[5-(methylamino)pyrazin-2-yl]piperazin-1-yl]-1H-benzimidazole-4-carboxamide is sourced from PubChem (CID 142771048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).