[2-[cyclopropyl(hydroxy)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]-(6-fluoro-1H-benzimidazol-2-yl)methanone

C18H18FN5O2 — CID 91773931

IUPAC[2-[cyclopropyl(hydroxy)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]-(6-fluoro-1H-benzimidazol-2-yl)methanone
SMILESO=C(c1nc2ccc(F)cc2[nH]1)N1CCn2nc(C(O)C3CC3)cc2C1
InChIInChI=1S/C18H18FN5O2/c19-11-3-4-13-14(7-11)21-17(20-13)18(26)23-5-6-24-12(9-23)8-15(22-24)16(25)10-1-2-10/h3-4,7-8,10,16,25H,1-2,5-6,9H2,(H,20,21)
InChIKeyLECGASVTNKEWCB-UHFFFAOYSA-N
MW355.37 g/mol
LogP2.00
Rot. Bonds3

About [2-[cyclopropyl(hydroxy)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]-(6-fluoro-1H-benzimidazol-2-yl)methanone

[2-[cyclopropyl(hydroxy)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]-(6-fluoro-1H-benzimidazol-2-yl)methanone (PubChem CID 91773931) has the molecular formula C18H18FN5O2 and a molecular weight of 355.37 g/mol. Its IUPAC name is [2-[cyclopropyl(hydroxy)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]-(6-fluoro-1H-benzimidazol-2-yl)methanone.

Molecular Properties

Compound Name[2-[cyclopropyl(hydroxy)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]-(6-fluoro-1H-benzimidazol-2-yl)methanone
PubChem CID91773931
Molecular FormulaC18H18FN5O2
Molecular Weight355.37 g/mol
Exact Mass355.14
IUPAC Name[2-[cyclopropyl(hydroxy)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]-(6-fluoro-1H-benzimidazol-2-yl)methanone
SMILESO=C(c1nc2ccc(F)cc2[nH]1)N1CCn2nc(C(O)C3CC3)cc2C1
InChIInChI=1S/C18H18FN5O2/c19-11-3-4-13-14(7-11)21-17(20-13)18(26)23-5-6-24-12(9-23)8-15(22-24)16(25)10-1-2-10/h3-4,7-8,10,16,25H,1-2,5-6,9H2,(H,20,21)
InChIKeyLECGASVTNKEWCB-UHFFFAOYSA-N
XLogP2.00
TPSA87.04 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.37
LogP ≤ 52.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [2-[cyclopropyl(hydroxy)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]-(6-fluoro-1H-benzimidazol-2-yl)methanone?
The IUPAC name of [2-[cyclopropyl(hydroxy)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]-(6-fluoro-1H-benzimidazol-2-yl)methanone (CID 91773931) is [2-[cyclopropyl(hydroxy)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]-(6-fluoro-1H-benzimidazol-2-yl)methanone.
What is the SMILES notation for [2-[cyclopropyl(hydroxy)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]-(6-fluoro-1H-benzimidazol-2-yl)methanone?
The canonical SMILES for [2-[cyclopropyl(hydroxy)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]-(6-fluoro-1H-benzimidazol-2-yl)methanone is O=C(c1nc2ccc(F)cc2[nH]1)N1CCn2nc(C(O)C3CC3)cc2C1.
What is the InChIKey of [2-[cyclopropyl(hydroxy)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]-(6-fluoro-1H-benzimidazol-2-yl)methanone?
The InChIKey is LECGASVTNKEWCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18FN5O2/c19-11-3-4-13-14(7-11)21-17(20-13)18(26)23-5-6-24-12(9-23)8-15(22-24)16(25)10-1-2-10/h3-4,7-8,10,16,25H,1-2,5-6,9H2,(H,20,21).
What are the key properties of [2-[cyclopropyl(hydroxy)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]-(6-fluoro-1H-benzimidazol-2-yl)methanone?
[2-[cyclopropyl(hydroxy)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]-(6-fluoro-1H-benzimidazol-2-yl)methanone has a molecular weight of 355.37 g/mol, XLogP of 2.00, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[cyclopropyl(hydroxy)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]-(6-fluoro-1H-benzimidazol-2-yl)methanone is sourced from PubChem (CID 91773931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).