[5-[2-(6-fluoro-1H-benzimidazol-2-yl)ethyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methanol

C16H18FN5O — CID 91759816

IUPAC[5-[2-(6-fluoro-1H-benzimidazol-2-yl)ethyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methanol
SMILESOCc1cc2n(n1)CCN(CCc1nc3ccc(F)cc3[nH]1)C2
InChIInChI=1S/C16H18FN5O/c17-11-1-2-14-15(7-11)19-16(18-14)3-4-21-5-6-22-13(9-21)8-12(10-23)20-22/h1-2,7-8,23H,3-6,9-10H2,(H,18,19)
InChIKeyBXFXDHCWOGGBPW-UHFFFAOYSA-N
MW315.35 g/mol
LogP1.45
Rot. Bonds4

About [5-[2-(6-fluoro-1H-benzimidazol-2-yl)ethyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methanol

[5-[2-(6-fluoro-1H-benzimidazol-2-yl)ethyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methanol (PubChem CID 91759816) has the molecular formula C16H18FN5O and a molecular weight of 315.35 g/mol. Its IUPAC name is [5-[2-(6-fluoro-1H-benzimidazol-2-yl)ethyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methanol.

Molecular Properties

Compound Name[5-[2-(6-fluoro-1H-benzimidazol-2-yl)ethyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methanol
PubChem CID91759816
Molecular FormulaC16H18FN5O
Molecular Weight315.35 g/mol
Exact Mass315.15
IUPAC Name[5-[2-(6-fluoro-1H-benzimidazol-2-yl)ethyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methanol
SMILESOCc1cc2n(n1)CCN(CCc1nc3ccc(F)cc3[nH]1)C2
InChIInChI=1S/C16H18FN5O/c17-11-1-2-14-15(7-11)19-16(18-14)3-4-21-5-6-22-13(9-21)8-12(10-23)20-22/h1-2,7-8,23H,3-6,9-10H2,(H,18,19)
InChIKeyBXFXDHCWOGGBPW-UHFFFAOYSA-N
XLogP1.45
TPSA69.97 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.35
LogP ≤ 51.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [5-[2-(6-fluoro-1H-benzimidazol-2-yl)ethyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methanol?
The IUPAC name of [5-[2-(6-fluoro-1H-benzimidazol-2-yl)ethyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methanol (CID 91759816) is [5-[2-(6-fluoro-1H-benzimidazol-2-yl)ethyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methanol.
What is the SMILES notation for [5-[2-(6-fluoro-1H-benzimidazol-2-yl)ethyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methanol?
The canonical SMILES for [5-[2-(6-fluoro-1H-benzimidazol-2-yl)ethyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methanol is OCc1cc2n(n1)CCN(CCc1nc3ccc(F)cc3[nH]1)C2.
What is the InChIKey of [5-[2-(6-fluoro-1H-benzimidazol-2-yl)ethyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methanol?
The InChIKey is BXFXDHCWOGGBPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18FN5O/c17-11-1-2-14-15(7-11)19-16(18-14)3-4-21-5-6-22-13(9-21)8-12(10-23)20-22/h1-2,7-8,23H,3-6,9-10H2,(H,18,19).
What are the key properties of [5-[2-(6-fluoro-1H-benzimidazol-2-yl)ethyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methanol?
[5-[2-(6-fluoro-1H-benzimidazol-2-yl)ethyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methanol has a molecular weight of 315.35 g/mol, XLogP of 1.45, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [5-[2-(6-fluoro-1H-benzimidazol-2-yl)ethyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methanol is sourced from PubChem (CID 91759816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).