[1-[(2R)-butan-2-yl]-5-cyclopropylpyrazol-4-yl]-(7-fluoro-4-methyl-2,3-dihydroquinoxalin-1-yl)methanone

C20H25FN4O — CID 167886166

IUPAC[1-[(2R)-butan-2-yl]-5-cyclopropylpyrazol-4-yl]-(7-fluoro-4-methyl-2,3-dihydroquinoxalin-1-yl)methanone
SMILESCC[C@@H](C)n1ncc(C(=O)N2CCN(C)c3ccc(F)cc32)c1C1CC1
InChIInChI=1S/C20H25FN4O/c1-4-13(2)25-19(14-5-6-14)16(12-22-25)20(26)24-10-9-23(3)17-8-7-15(21)11-18(17)24/h7-8,11-14H,4-6,9-10H2,1-3H3/t13-/m1/s1
InChIKeyPQDUKSMKZVEPLG-CYBMUJFWSA-N
MW356.45 g/mol
LogP3.97
Rot. Bonds4

About [1-[(2R)-butan-2-yl]-5-cyclopropylpyrazol-4-yl]-(7-fluoro-4-methyl-2,3-dihydroquinoxalin-1-yl)methanone

[1-[(2R)-butan-2-yl]-5-cyclopropylpyrazol-4-yl]-(7-fluoro-4-methyl-2,3-dihydroquinoxalin-1-yl)methanone (PubChem CID 167886166) has the molecular formula C20H25FN4O and a molecular weight of 356.45 g/mol. Its IUPAC name is [1-[(2R)-butan-2-yl]-5-cyclopropylpyrazol-4-yl]-(7-fluoro-4-methyl-2,3-dihydroquinoxalin-1-yl)methanone.

Molecular Properties

Compound Name[1-[(2R)-butan-2-yl]-5-cyclopropylpyrazol-4-yl]-(7-fluoro-4-methyl-2,3-dihydroquinoxalin-1-yl)methanone
PubChem CID167886166
Molecular FormulaC20H25FN4O
Molecular Weight356.45 g/mol
Exact Mass356.20
IUPAC Name[1-[(2R)-butan-2-yl]-5-cyclopropylpyrazol-4-yl]-(7-fluoro-4-methyl-2,3-dihydroquinoxalin-1-yl)methanone
SMILESCC[C@@H](C)n1ncc(C(=O)N2CCN(C)c3ccc(F)cc32)c1C1CC1
InChIInChI=1S/C20H25FN4O/c1-4-13(2)25-19(14-5-6-14)16(12-22-25)20(26)24-10-9-23(3)17-8-7-15(21)11-18(17)24/h7-8,11-14H,4-6,9-10H2,1-3H3/t13-/m1/s1
InChIKeyPQDUKSMKZVEPLG-CYBMUJFWSA-N
XLogP3.97
TPSA41.37 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.45
LogP ≤ 53.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [1-[(2R)-butan-2-yl]-5-cyclopropylpyrazol-4-yl]-(7-fluoro-4-methyl-2,3-dihydroquinoxalin-1-yl)methanone?
The IUPAC name of [1-[(2R)-butan-2-yl]-5-cyclopropylpyrazol-4-yl]-(7-fluoro-4-methyl-2,3-dihydroquinoxalin-1-yl)methanone (CID 167886166) is [1-[(2R)-butan-2-yl]-5-cyclopropylpyrazol-4-yl]-(7-fluoro-4-methyl-2,3-dihydroquinoxalin-1-yl)methanone.
What is the SMILES notation for [1-[(2R)-butan-2-yl]-5-cyclopropylpyrazol-4-yl]-(7-fluoro-4-methyl-2,3-dihydroquinoxalin-1-yl)methanone?
The canonical SMILES for [1-[(2R)-butan-2-yl]-5-cyclopropylpyrazol-4-yl]-(7-fluoro-4-methyl-2,3-dihydroquinoxalin-1-yl)methanone is CC[C@@H](C)n1ncc(C(=O)N2CCN(C)c3ccc(F)cc32)c1C1CC1.
What is the InChIKey of [1-[(2R)-butan-2-yl]-5-cyclopropylpyrazol-4-yl]-(7-fluoro-4-methyl-2,3-dihydroquinoxalin-1-yl)methanone?
The InChIKey is PQDUKSMKZVEPLG-CYBMUJFWSA-N. The full InChI is InChI=1S/C20H25FN4O/c1-4-13(2)25-19(14-5-6-14)16(12-22-25)20(26)24-10-9-23(3)17-8-7-15(21)11-18(17)24/h7-8,11-14H,4-6,9-10H2,1-3H3/t13-/m1/s1.
What are the key properties of [1-[(2R)-butan-2-yl]-5-cyclopropylpyrazol-4-yl]-(7-fluoro-4-methyl-2,3-dihydroquinoxalin-1-yl)methanone?
[1-[(2R)-butan-2-yl]-5-cyclopropylpyrazol-4-yl]-(7-fluoro-4-methyl-2,3-dihydroquinoxalin-1-yl)methanone has a molecular weight of 356.45 g/mol, XLogP of 3.97, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[(2R)-butan-2-yl]-5-cyclopropylpyrazol-4-yl]-(7-fluoro-4-methyl-2,3-dihydroquinoxalin-1-yl)methanone is sourced from PubChem (CID 167886166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).