(6-fluoro-4-methyl-2,3-dihydroquinoxalin-1-yl)-(7-phenylpyrazolo[1,5-a]pyrimidin-3-yl)methanone

C22H18FN5O — CID 99812180

IUPAC(6-fluoro-4-methyl-2,3-dihydroquinoxalin-1-yl)-(7-phenylpyrazolo[1,5-a]pyrimidin-3-yl)methanone
SMILESCN1CCN(C(=O)c2cnn3c(-c4ccccc4)ccnc23)c2ccc(F)cc21
InChIInChI=1S/C22H18FN5O/c1-26-11-12-27(19-8-7-16(23)13-20(19)26)22(29)17-14-25-28-18(9-10-24-21(17)28)15-5-3-2-4-6-15/h2-10,13-14H,11-12H2,1H3
InChIKeyQJBDNKYOYKLPJY-UHFFFAOYSA-N
MW387.42 g/mol
LogP3.63
Rot. Bonds2

About (6-fluoro-4-methyl-2,3-dihydroquinoxalin-1-yl)-(7-phenylpyrazolo[1,5-a]pyrimidin-3-yl)methanone

(6-fluoro-4-methyl-2,3-dihydroquinoxalin-1-yl)-(7-phenylpyrazolo[1,5-a]pyrimidin-3-yl)methanone (PubChem CID 99812180) has the molecular formula C22H18FN5O and a molecular weight of 387.42 g/mol. Its IUPAC name is (6-fluoro-4-methyl-2,3-dihydroquinoxalin-1-yl)-(7-phenylpyrazolo[1,5-a]pyrimidin-3-yl)methanone.

Molecular Properties

Compound Name(6-fluoro-4-methyl-2,3-dihydroquinoxalin-1-yl)-(7-phenylpyrazolo[1,5-a]pyrimidin-3-yl)methanone
PubChem CID99812180
Molecular FormulaC22H18FN5O
Molecular Weight387.42 g/mol
Exact Mass387.15
IUPAC Name(6-fluoro-4-methyl-2,3-dihydroquinoxalin-1-yl)-(7-phenylpyrazolo[1,5-a]pyrimidin-3-yl)methanone
SMILESCN1CCN(C(=O)c2cnn3c(-c4ccccc4)ccnc23)c2ccc(F)cc21
InChIInChI=1S/C22H18FN5O/c1-26-11-12-27(19-8-7-16(23)13-20(19)26)22(29)17-14-25-28-18(9-10-24-21(17)28)15-5-3-2-4-6-15/h2-10,13-14H,11-12H2,1H3
InChIKeyQJBDNKYOYKLPJY-UHFFFAOYSA-N
XLogP3.63
TPSA53.74 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.42
LogP ≤ 53.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (6-fluoro-4-methyl-2,3-dihydroquinoxalin-1-yl)-(7-phenylpyrazolo[1,5-a]pyrimidin-3-yl)methanone?
The IUPAC name of (6-fluoro-4-methyl-2,3-dihydroquinoxalin-1-yl)-(7-phenylpyrazolo[1,5-a]pyrimidin-3-yl)methanone (CID 99812180) is (6-fluoro-4-methyl-2,3-dihydroquinoxalin-1-yl)-(7-phenylpyrazolo[1,5-a]pyrimidin-3-yl)methanone.
What is the SMILES notation for (6-fluoro-4-methyl-2,3-dihydroquinoxalin-1-yl)-(7-phenylpyrazolo[1,5-a]pyrimidin-3-yl)methanone?
The canonical SMILES for (6-fluoro-4-methyl-2,3-dihydroquinoxalin-1-yl)-(7-phenylpyrazolo[1,5-a]pyrimidin-3-yl)methanone is CN1CCN(C(=O)c2cnn3c(-c4ccccc4)ccnc23)c2ccc(F)cc21.
What is the InChIKey of (6-fluoro-4-methyl-2,3-dihydroquinoxalin-1-yl)-(7-phenylpyrazolo[1,5-a]pyrimidin-3-yl)methanone?
The InChIKey is QJBDNKYOYKLPJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18FN5O/c1-26-11-12-27(19-8-7-16(23)13-20(19)26)22(29)17-14-25-28-18(9-10-24-21(17)28)15-5-3-2-4-6-15/h2-10,13-14H,11-12H2,1H3.
What are the key properties of (6-fluoro-4-methyl-2,3-dihydroquinoxalin-1-yl)-(7-phenylpyrazolo[1,5-a]pyrimidin-3-yl)methanone?
(6-fluoro-4-methyl-2,3-dihydroquinoxalin-1-yl)-(7-phenylpyrazolo[1,5-a]pyrimidin-3-yl)methanone has a molecular weight of 387.42 g/mol, XLogP of 3.63, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (6-fluoro-4-methyl-2,3-dihydroquinoxalin-1-yl)-(7-phenylpyrazolo[1,5-a]pyrimidin-3-yl)methanone is sourced from PubChem (CID 99812180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).