[5-[2-(6-fluoro-1H-benzimidazol-2-yl)ethyl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl]methanol

C17H20FN5O — CID 91772743

IUPAC[5-[2-(6-fluoro-1H-benzimidazol-2-yl)ethyl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl]methanol
SMILESOCc1cc2n(n1)CCCN(CCc1nc3ccc(F)cc3[nH]1)C2
InChIInChI=1S/C17H20FN5O/c18-12-2-3-15-16(8-12)20-17(19-15)4-7-22-5-1-6-23-14(10-22)9-13(11-24)21-23/h2-3,8-9,24H,1,4-7,10-11H2,(H,19,20)
InChIKeyQWUGSNPSGUHHEW-UHFFFAOYSA-N
MW329.38 g/mol
LogP1.84
Rot. Bonds4

About [5-[2-(6-fluoro-1H-benzimidazol-2-yl)ethyl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl]methanol

[5-[2-(6-fluoro-1H-benzimidazol-2-yl)ethyl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl]methanol (PubChem CID 91772743) has the molecular formula C17H20FN5O and a molecular weight of 329.38 g/mol. Its IUPAC name is [5-[2-(6-fluoro-1H-benzimidazol-2-yl)ethyl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl]methanol.

Molecular Properties

Compound Name[5-[2-(6-fluoro-1H-benzimidazol-2-yl)ethyl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl]methanol
PubChem CID91772743
Molecular FormulaC17H20FN5O
Molecular Weight329.38 g/mol
Exact Mass329.17
IUPAC Name[5-[2-(6-fluoro-1H-benzimidazol-2-yl)ethyl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl]methanol
SMILESOCc1cc2n(n1)CCCN(CCc1nc3ccc(F)cc3[nH]1)C2
InChIInChI=1S/C17H20FN5O/c18-12-2-3-15-16(8-12)20-17(19-15)4-7-22-5-1-6-23-14(10-22)9-13(11-24)21-23/h2-3,8-9,24H,1,4-7,10-11H2,(H,19,20)
InChIKeyQWUGSNPSGUHHEW-UHFFFAOYSA-N
XLogP1.84
TPSA69.97 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.38
LogP ≤ 51.84
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]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl]methanol?
The IUPAC name of [5-[2-(6-fluoro-1H-benzimidazol-2-yl)ethyl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl]methanol (CID 91772743) is [5-[2-(6-fluoro-1H-benzimidazol-2-yl)ethyl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl]methanol.
What is the SMILES notation for [5-[2-(6-fluoro-1H-benzimidazol-2-yl)ethyl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl]methanol?
The canonical SMILES for [5-[2-(6-fluoro-1H-benzimidazol-2-yl)ethyl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl]methanol is OCc1cc2n(n1)CCCN(CCc1nc3ccc(F)cc3[nH]1)C2.
What is the InChIKey of [5-[2-(6-fluoro-1H-benzimidazol-2-yl)ethyl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl]methanol?
The InChIKey is QWUGSNPSGUHHEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20FN5O/c18-12-2-3-15-16(8-12)20-17(19-15)4-7-22-5-1-6-23-14(10-22)9-13(11-24)21-23/h2-3,8-9,24H,1,4-7,10-11H2,(H,19,20).
What are the key properties of [5-[2-(6-fluoro-1H-benzimidazol-2-yl)ethyl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl]methanol?
[5-[2-(6-fluoro-1H-benzimidazol-2-yl)ethyl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl]methanol has a molecular weight of 329.38 g/mol, XLogP of 1.84, 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]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl]methanol is sourced from PubChem (CID 91772743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).