1-[5-[(5-fluoro-3-methyl-1H-indol-2-yl)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]ethane-1,2-diol

C18H21FN4O2 — CID 90647815

IUPAC1-[5-[(5-fluoro-3-methyl-1H-indol-2-yl)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]ethane-1,2-diol
SMILESCc1c(CN2CCn3nc(C(O)CO)cc3C2)[nH]c2ccc(F)cc12
InChIInChI=1S/C18H21FN4O2/c1-11-14-6-12(19)2-3-15(14)20-17(11)9-22-4-5-23-13(8-22)7-16(21-23)18(25)10-24/h2-3,6-7,18,20,24-25H,4-5,8-10H2,1H3
InChIKeyFWEDKPPXEAVHOK-UHFFFAOYSA-N
MW344.39 g/mol
LogP1.85
Rot. Bonds4

About 1-[5-[(5-fluoro-3-methyl-1H-indol-2-yl)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]ethane-1,2-diol

1-[5-[(5-fluoro-3-methyl-1H-indol-2-yl)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]ethane-1,2-diol (PubChem CID 90647815) has the molecular formula C18H21FN4O2 and a molecular weight of 344.39 g/mol. Its IUPAC name is 1-[5-[(5-fluoro-3-methyl-1H-indol-2-yl)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]ethane-1,2-diol.

Molecular Properties

Compound Name1-[5-[(5-fluoro-3-methyl-1H-indol-2-yl)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]ethane-1,2-diol
PubChem CID90647815
Molecular FormulaC18H21FN4O2
Molecular Weight344.39 g/mol
Exact Mass344.16
IUPAC Name1-[5-[(5-fluoro-3-methyl-1H-indol-2-yl)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]ethane-1,2-diol
SMILESCc1c(CN2CCn3nc(C(O)CO)cc3C2)[nH]c2ccc(F)cc12
InChIInChI=1S/C18H21FN4O2/c1-11-14-6-12(19)2-3-15(14)20-17(11)9-22-4-5-23-13(8-22)7-16(21-23)18(25)10-24/h2-3,6-7,18,20,24-25H,4-5,8-10H2,1H3
InChIKeyFWEDKPPXEAVHOK-UHFFFAOYSA-N
XLogP1.85
TPSA77.31 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.39
LogP ≤ 51.85
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

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Related Compounds

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[3-ethyl-1-(hydroxymethyl)-6,11-dihydro-5H-indolizino[8,7-b]indol-2-yl]methanol
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[3-(4-fluorophenyl)-1-(hydroxymethyl)-6,11-dihydro-5H-indolizino[8,7-b]indol-2-yl]methanol
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[1-(hydroxymethyl)-3-methyl-6,11-dihydro-5H-indolizino[8,7-b]indol-2-yl]methanol
CID 137657305
[1-(hydroxymethyl)-3-phenyl-6,11-dihydro-5H-indolizino[8,7-b]indol-2-yl]methanol
CID 137641225
[5-(1-Benzylindazol-3-yl)-1-methylpyrrol-2-yl]methanol
CID 11197913
{5-[(1,5-dimethyl-1H-indol-2-yl)methyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-yl}methanol
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{5-[2-(1H-indol-3-yl)ethyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-yl}methanol
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(1S)-1-[5-(6-fluoro-2-methylquinolin-4-yl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]propan-1-ol
CID 99972948
[6-[1-[(2-Fluorophenyl)methyl]indazol-3-yl]-2-pyridinyl]methanol
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1-[5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-1H-pyrrolo[3,2-b]pyridin-2-yl]cyclohexan-1-ol
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Frequently Asked Questions

What is the IUPAC name of 1-[5-[(5-fluoro-3-methyl-1H-indol-2-yl)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]ethane-1,2-diol?
The IUPAC name of 1-[5-[(5-fluoro-3-methyl-1H-indol-2-yl)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]ethane-1,2-diol (CID 90647815) is 1-[5-[(5-fluoro-3-methyl-1H-indol-2-yl)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]ethane-1,2-diol.
What is the SMILES notation for 1-[5-[(5-fluoro-3-methyl-1H-indol-2-yl)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]ethane-1,2-diol?
The canonical SMILES for 1-[5-[(5-fluoro-3-methyl-1H-indol-2-yl)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]ethane-1,2-diol is Cc1c(CN2CCn3nc(C(O)CO)cc3C2)[nH]c2ccc(F)cc12.
What is the InChIKey of 1-[5-[(5-fluoro-3-methyl-1H-indol-2-yl)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]ethane-1,2-diol?
The InChIKey is FWEDKPPXEAVHOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21FN4O2/c1-11-14-6-12(19)2-3-15(14)20-17(11)9-22-4-5-23-13(8-22)7-16(21-23)18(25)10-24/h2-3,6-7,18,20,24-25H,4-5,8-10H2,1H3.
What are the key properties of 1-[5-[(5-fluoro-3-methyl-1H-indol-2-yl)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]ethane-1,2-diol?
1-[5-[(5-fluoro-3-methyl-1H-indol-2-yl)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]ethane-1,2-diol has a molecular weight of 344.39 g/mol, XLogP of 1.85, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-[(5-fluoro-3-methyl-1H-indol-2-yl)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]ethane-1,2-diol is sourced from PubChem (CID 90647815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).