(2R)-3-[7-(3-fluoro-4-methoxyphenyl)pyrazolo[4,3-g]quinoxalin-1-yl]propane-1,2-diol

C19H17FN4O3 — CID 67763090

IUPAC(2R)-3-[7-(3-fluoro-4-methoxyphenyl)pyrazolo[4,3-g]quinoxalin-1-yl]propane-1,2-diol
SMILESCOc1ccc(-c2cnc3cc4cnn(C[C@@H](O)CO)c4cc3n2)cc1F
InChIInChI=1S/C19H17FN4O3/c1-27-19-3-2-11(4-14(19)20)17-8-21-15-5-12-7-22-24(9-13(26)10-25)18(12)6-16(15)23-17/h2-8,13,25-26H,9-10H2,1H3/t13-/m1/s1
InChIKeyIBLIFYRHDNRIJG-CYBMUJFWSA-N
MW368.37 g/mol
LogP2.15
Rot. Bonds5

About (2R)-3-[7-(3-fluoro-4-methoxyphenyl)pyrazolo[4,3-g]quinoxalin-1-yl]propane-1,2-diol

(2R)-3-[7-(3-fluoro-4-methoxyphenyl)pyrazolo[4,3-g]quinoxalin-1-yl]propane-1,2-diol (PubChem CID 67763090) has the molecular formula C19H17FN4O3 and a molecular weight of 368.37 g/mol. Its IUPAC name is (2R)-3-[7-(3-fluoro-4-methoxyphenyl)pyrazolo[4,3-g]quinoxalin-1-yl]propane-1,2-diol.

Molecular Properties

Compound Name(2R)-3-[7-(3-fluoro-4-methoxyphenyl)pyrazolo[4,3-g]quinoxalin-1-yl]propane-1,2-diol
PubChem CID67763090
Molecular FormulaC19H17FN4O3
Molecular Weight368.37 g/mol
Exact Mass368.13
IUPAC Name(2R)-3-[7-(3-fluoro-4-methoxyphenyl)pyrazolo[4,3-g]quinoxalin-1-yl]propane-1,2-diol
SMILESCOc1ccc(-c2cnc3cc4cnn(C[C@@H](O)CO)c4cc3n2)cc1F
InChIInChI=1S/C19H17FN4O3/c1-27-19-3-2-11(4-14(19)20)17-8-21-15-5-12-7-22-24(9-13(26)10-25)18(12)6-16(15)23-17/h2-8,13,25-26H,9-10H2,1H3/t13-/m1/s1
InChIKeyIBLIFYRHDNRIJG-CYBMUJFWSA-N
XLogP2.15
TPSA93.29 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.37
LogP ≤ 52.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

3-(3-fluoro-4-methoxyphenyl)-N-hydroxyquinoxaline-6-carboxamide
CID 162733624
ethyl 2-[7-(3-fluoro-4-methoxyphenyl)pyrazolo[4,3-g]quinoxalin-2-yl]acetate
CID 18999825
2-[6-(3-fluoro-4-methoxyphenyl)pyrazolo[3,4-g]quinoxalin-2-yl]ethyl acetate
CID 18999917
[6-(3-fluoro-4-methoxyphenyl)pyrazolo[3,4-g]quinoxalin-2-yl]methyl butanoate
CID 67803751
methyl 2-[4-(6,7-dimethoxyquinoxalin-2-yl)-2-fluorophenyl]acetate
CID 164853359
2-amino-2-[4-(3-fluoro-4-methoxyphenyl)pyrimidin-2-yl]ethanol
CID 116902164
[4-(3-fluoro-4-methoxyphenyl)pyrimidin-2-yl]methanamine
CID 82475463
[6-(3-fluoro-4-methoxyphenyl)-3-pyridinyl]methanamine
CID 83918620
5-chloro-1-[[6-(4-fluoro-3-methoxyphenyl)-3-pyridinyl]methyl]indazole
CID 175809986
2-(3-fluoro-4-methoxyphenyl)-5-propylpyridine
CID 21286189
2-(3-fluoro-4-methoxyphenyl)-6-phenylmethoxypyrazine
CID 167980981
N-[(2R)-2,3-dihydroxypropyl]-4-(3-fluoro-4-methoxyphenyl)-N-methylbenzamide
CID 126443638

Frequently Asked Questions

What is the IUPAC name of (2R)-3-[7-(3-fluoro-4-methoxyphenyl)pyrazolo[4,3-g]quinoxalin-1-yl]propane-1,2-diol?
The IUPAC name of (2R)-3-[7-(3-fluoro-4-methoxyphenyl)pyrazolo[4,3-g]quinoxalin-1-yl]propane-1,2-diol (CID 67763090) is (2R)-3-[7-(3-fluoro-4-methoxyphenyl)pyrazolo[4,3-g]quinoxalin-1-yl]propane-1,2-diol.
What is the SMILES notation for (2R)-3-[7-(3-fluoro-4-methoxyphenyl)pyrazolo[4,3-g]quinoxalin-1-yl]propane-1,2-diol?
The canonical SMILES for (2R)-3-[7-(3-fluoro-4-methoxyphenyl)pyrazolo[4,3-g]quinoxalin-1-yl]propane-1,2-diol is COc1ccc(-c2cnc3cc4cnn(C[C@@H](O)CO)c4cc3n2)cc1F.
What is the InChIKey of (2R)-3-[7-(3-fluoro-4-methoxyphenyl)pyrazolo[4,3-g]quinoxalin-1-yl]propane-1,2-diol?
The InChIKey is IBLIFYRHDNRIJG-CYBMUJFWSA-N. The full InChI is InChI=1S/C19H17FN4O3/c1-27-19-3-2-11(4-14(19)20)17-8-21-15-5-12-7-22-24(9-13(26)10-25)18(12)6-16(15)23-17/h2-8,13,25-26H,9-10H2,1H3/t13-/m1/s1.
What are the key properties of (2R)-3-[7-(3-fluoro-4-methoxyphenyl)pyrazolo[4,3-g]quinoxalin-1-yl]propane-1,2-diol?
(2R)-3-[7-(3-fluoro-4-methoxyphenyl)pyrazolo[4,3-g]quinoxalin-1-yl]propane-1,2-diol has a molecular weight of 368.37 g/mol, XLogP of 2.15, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-3-[7-(3-fluoro-4-methoxyphenyl)pyrazolo[4,3-g]quinoxalin-1-yl]propane-1,2-diol is sourced from PubChem (CID 67763090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).