4-fluoro-N-[2-[2-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-yl)imidazol-1-yl]ethyl]benzamide

C18H19FN6O — CID 70766573

IUPAC4-fluoro-N-[2-[2-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-yl)imidazol-1-yl]ethyl]benzamide
SMILESO=C(NCCn1ccnc1-c1cc2n(n1)CCNC2)c1ccc(F)cc1
InChIInChI=1S/C18H19FN6O/c19-14-3-1-13(2-4-14)18(26)22-7-9-24-8-6-21-17(24)16-11-15-12-20-5-10-25(15)23-16/h1-4,6,8,11,20H,5,7,9-10,12H2,(H,22,26)
InChIKeyYLULMFMNMUIRJH-UHFFFAOYSA-N
MW354.39 g/mol
LogP1.42
Rot. Bonds5

About 4-fluoro-N-[2-[2-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-yl)imidazol-1-yl]ethyl]benzamide

4-fluoro-N-[2-[2-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-yl)imidazol-1-yl]ethyl]benzamide (PubChem CID 70766573) has the molecular formula C18H19FN6O and a molecular weight of 354.39 g/mol. Its IUPAC name is 4-fluoro-N-[2-[2-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-yl)imidazol-1-yl]ethyl]benzamide.

Molecular Properties

Compound Name4-fluoro-N-[2-[2-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-yl)imidazol-1-yl]ethyl]benzamide
PubChem CID70766573
Molecular FormulaC18H19FN6O
Molecular Weight354.39 g/mol
Exact Mass354.16
IUPAC Name4-fluoro-N-[2-[2-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-yl)imidazol-1-yl]ethyl]benzamide
SMILESO=C(NCCn1ccnc1-c1cc2n(n1)CCNC2)c1ccc(F)cc1
InChIInChI=1S/C18H19FN6O/c19-14-3-1-13(2-4-14)18(26)22-7-9-24-8-6-21-17(24)16-11-15-12-20-5-10-25(15)23-16/h1-4,6,8,11,20H,5,7,9-10,12H2,(H,22,26)
InChIKeyYLULMFMNMUIRJH-UHFFFAOYSA-N
XLogP1.42
TPSA76.77 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.39
LogP ≤ 51.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-[2-[2-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-yl)imidazol-1-yl]ethyl]benzamide?
The IUPAC name of 4-fluoro-N-[2-[2-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-yl)imidazol-1-yl]ethyl]benzamide (CID 70766573) is 4-fluoro-N-[2-[2-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-yl)imidazol-1-yl]ethyl]benzamide.
What is the SMILES notation for 4-fluoro-N-[2-[2-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-yl)imidazol-1-yl]ethyl]benzamide?
The canonical SMILES for 4-fluoro-N-[2-[2-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-yl)imidazol-1-yl]ethyl]benzamide is O=C(NCCn1ccnc1-c1cc2n(n1)CCNC2)c1ccc(F)cc1.
What is the InChIKey of 4-fluoro-N-[2-[2-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-yl)imidazol-1-yl]ethyl]benzamide?
The InChIKey is YLULMFMNMUIRJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19FN6O/c19-14-3-1-13(2-4-14)18(26)22-7-9-24-8-6-21-17(24)16-11-15-12-20-5-10-25(15)23-16/h1-4,6,8,11,20H,5,7,9-10,12H2,(H,22,26).
What are the key properties of 4-fluoro-N-[2-[2-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-yl)imidazol-1-yl]ethyl]benzamide?
4-fluoro-N-[2-[2-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-yl)imidazol-1-yl]ethyl]benzamide has a molecular weight of 354.39 g/mol, XLogP of 1.42, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-[2-[2-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-yl)imidazol-1-yl]ethyl]benzamide is sourced from PubChem (CID 70766573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).