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

C18H19FN8O2 — CID 87055958

IUPAC6-fluoro-2-[4-[5-(methylcarbamoyl)pyrazin-2-yl]piperazin-1-yl]-1H-benzimidazole-4-carboxamide
SMILESCNC(=O)c1cnc(N2CCN(c3nc4c(C(N)=O)cc(F)cc4[nH]3)CC2)cn1
InChIInChI=1S/C18H19FN8O2/c1-21-17(29)13-8-23-14(9-22-13)26-2-4-27(5-3-26)18-24-12-7-10(19)6-11(16(20)28)15(12)25-18/h6-9H,2-5H2,1H3,(H2,20,28)(H,21,29)(H,24,25)
InChIKeyHIAMFGLRVMMJLN-UHFFFAOYSA-N
MW398.40 g/mol
LogP0.28
Rot. Bonds4

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

6-fluoro-2-[4-[5-(methylcarbamoyl)pyrazin-2-yl]piperazin-1-yl]-1H-benzimidazole-4-carboxamide (PubChem CID 87055958) has the molecular formula C18H19FN8O2 and a molecular weight of 398.40 g/mol. Its IUPAC name is 6-fluoro-2-[4-[5-(methylcarbamoyl)pyrazin-2-yl]piperazin-1-yl]-1H-benzimidazole-4-carboxamide.

Molecular Properties

Compound Name6-fluoro-2-[4-[5-(methylcarbamoyl)pyrazin-2-yl]piperazin-1-yl]-1H-benzimidazole-4-carboxamide
PubChem CID87055958
Molecular FormulaC18H19FN8O2
Molecular Weight398.40 g/mol
Exact Mass398.16
IUPAC Name6-fluoro-2-[4-[5-(methylcarbamoyl)pyrazin-2-yl]piperazin-1-yl]-1H-benzimidazole-4-carboxamide
SMILESCNC(=O)c1cnc(N2CCN(c3nc4c(C(N)=O)cc(F)cc4[nH]3)CC2)cn1
InChIInChI=1S/C18H19FN8O2/c1-21-17(29)13-8-23-14(9-22-13)26-2-4-27(5-3-26)18-24-12-7-10(19)6-11(16(20)28)15(12)25-18/h6-9H,2-5H2,1H3,(H2,20,28)(H,21,29)(H,24,25)
InChIKeyHIAMFGLRVMMJLN-UHFFFAOYSA-N
XLogP0.28
TPSA133.13 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.40
LogP ≤ 50.28
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze 6-fluoro-2-[4-[5-(methylcarbamoyl)pyrazin-2-yl]piperazin-1-yl]-1H-benzimidazole-4-carboxamide with MolForge

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Related Compounds

Idelalisib
CID 11625818
Felcisetrag
CID 11961293
2-(1-propylpiperidin-4-yl)-1H-benzimidazole-4-carboxamide
CID 9925908
Acalisib
CID 11618268
Delavuridine
CID 72346
KF 17625
CID 126487
1-((6-Cyano-2-indolyl)carbonyl)-4-(3-(isopropylamino)-2-pyridinyl)piperazine
CID 454726
Piperazine, 1-((6-formyl-1H-indol-2-yl)carbonyl)-4-(3-((1-methylethyl)amino)-2-pyridinyl)-
CID 454727
6-cyclopropyl-N-[2-(dimethylcarbamoyl)-3-fluorophenyl]-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide
CID 58548152
N-[2-(azetidine-1-carbonyl)-5-fluorophenyl]-6-cyclopropyl-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide
CID 58548219
6-cyclopropyl-N-[4-fluoro-2-(methylcarbamoyl)phenyl]-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide
CID 58548285
6-cyclopropyl-N-[4,5-difluoro-2-(methylcarbamoyl)phenyl]-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide
CID 58548299

Frequently Asked Questions

What is the IUPAC name of 6-fluoro-2-[4-[5-(methylcarbamoyl)pyrazin-2-yl]piperazin-1-yl]-1H-benzimidazole-4-carboxamide?
The IUPAC name of 6-fluoro-2-[4-[5-(methylcarbamoyl)pyrazin-2-yl]piperazin-1-yl]-1H-benzimidazole-4-carboxamide (CID 87055958) is 6-fluoro-2-[4-[5-(methylcarbamoyl)pyrazin-2-yl]piperazin-1-yl]-1H-benzimidazole-4-carboxamide.
What is the SMILES notation for 6-fluoro-2-[4-[5-(methylcarbamoyl)pyrazin-2-yl]piperazin-1-yl]-1H-benzimidazole-4-carboxamide?
The canonical SMILES for 6-fluoro-2-[4-[5-(methylcarbamoyl)pyrazin-2-yl]piperazin-1-yl]-1H-benzimidazole-4-carboxamide is CNC(=O)c1cnc(N2CCN(c3nc4c(C(N)=O)cc(F)cc4[nH]3)CC2)cn1.
What is the InChIKey of 6-fluoro-2-[4-[5-(methylcarbamoyl)pyrazin-2-yl]piperazin-1-yl]-1H-benzimidazole-4-carboxamide?
The InChIKey is HIAMFGLRVMMJLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19FN8O2/c1-21-17(29)13-8-23-14(9-22-13)26-2-4-27(5-3-26)18-24-12-7-10(19)6-11(16(20)28)15(12)25-18/h6-9H,2-5H2,1H3,(H2,20,28)(H,21,29)(H,24,25).
What are the key properties of 6-fluoro-2-[4-[5-(methylcarbamoyl)pyrazin-2-yl]piperazin-1-yl]-1H-benzimidazole-4-carboxamide?
6-fluoro-2-[4-[5-(methylcarbamoyl)pyrazin-2-yl]piperazin-1-yl]-1H-benzimidazole-4-carboxamide has a molecular weight of 398.40 g/mol, XLogP of 0.28, 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-(methylcarbamoyl)pyrazin-2-yl]piperazin-1-yl]-1H-benzimidazole-4-carboxamide is sourced from PubChem (CID 87055958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).