[3-(5-fluoro-3-pyridinyl)-2-methyl-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-6-yl]-quinoxalin-6-ylmethanone

C21H17FN6O — CID 146515465

IUPAC[3-(5-fluoro-3-pyridinyl)-2-methyl-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-6-yl]-quinoxalin-6-ylmethanone
SMILESCn1nc2c(c1-c1cncc(F)c1)CCN(C(=O)c1ccc3nccnc3c1)C2
InChIInChI=1S/C21H17FN6O/c1-27-20(14-8-15(22)11-23-10-14)16-4-7-28(12-19(16)26-27)21(29)13-2-3-17-18(9-13)25-6-5-24-17/h2-3,5-6,8-11H,4,7,12H2,1H3
InChIKeyKRYHKBRQXSIGAU-UHFFFAOYSA-N
MW388.41 g/mol
LogP2.76
Rot. Bonds2

About [3-(5-fluoro-3-pyridinyl)-2-methyl-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-6-yl]-quinoxalin-6-ylmethanone

[3-(5-fluoro-3-pyridinyl)-2-methyl-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-6-yl]-quinoxalin-6-ylmethanone (PubChem CID 146515465) has the molecular formula C21H17FN6O and a molecular weight of 388.41 g/mol. Its IUPAC name is [3-(5-fluoro-3-pyridinyl)-2-methyl-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-6-yl]-quinoxalin-6-ylmethanone.

Molecular Properties

Compound Name[3-(5-fluoro-3-pyridinyl)-2-methyl-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-6-yl]-quinoxalin-6-ylmethanone
PubChem CID146515465
Molecular FormulaC21H17FN6O
Molecular Weight388.41 g/mol
Exact Mass388.14
IUPAC Name[3-(5-fluoro-3-pyridinyl)-2-methyl-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-6-yl]-quinoxalin-6-ylmethanone
SMILESCn1nc2c(c1-c1cncc(F)c1)CCN(C(=O)c1ccc3nccnc3c1)C2
InChIInChI=1S/C21H17FN6O/c1-27-20(14-8-15(22)11-23-10-14)16-4-7-28(12-19(16)26-27)21(29)13-2-3-17-18(9-13)25-6-5-24-17/h2-3,5-6,8-11H,4,7,12H2,1H3
InChIKeyKRYHKBRQXSIGAU-UHFFFAOYSA-N
XLogP2.76
TPSA76.80 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.41
LogP ≤ 52.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [3-(5-fluoro-3-pyridinyl)-2-methyl-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-6-yl]-quinoxalin-6-ylmethanone?
The IUPAC name of [3-(5-fluoro-3-pyridinyl)-2-methyl-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-6-yl]-quinoxalin-6-ylmethanone (CID 146515465) is [3-(5-fluoro-3-pyridinyl)-2-methyl-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-6-yl]-quinoxalin-6-ylmethanone.
What is the SMILES notation for [3-(5-fluoro-3-pyridinyl)-2-methyl-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-6-yl]-quinoxalin-6-ylmethanone?
The canonical SMILES for [3-(5-fluoro-3-pyridinyl)-2-methyl-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-6-yl]-quinoxalin-6-ylmethanone is Cn1nc2c(c1-c1cncc(F)c1)CCN(C(=O)c1ccc3nccnc3c1)C2.
What is the InChIKey of [3-(5-fluoro-3-pyridinyl)-2-methyl-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-6-yl]-quinoxalin-6-ylmethanone?
The InChIKey is KRYHKBRQXSIGAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17FN6O/c1-27-20(14-8-15(22)11-23-10-14)16-4-7-28(12-19(16)26-27)21(29)13-2-3-17-18(9-13)25-6-5-24-17/h2-3,5-6,8-11H,4,7,12H2,1H3.
What are the key properties of [3-(5-fluoro-3-pyridinyl)-2-methyl-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-6-yl]-quinoxalin-6-ylmethanone?
[3-(5-fluoro-3-pyridinyl)-2-methyl-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-6-yl]-quinoxalin-6-ylmethanone has a molecular weight of 388.41 g/mol, XLogP of 2.76, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(5-fluoro-3-pyridinyl)-2-methyl-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-6-yl]-quinoxalin-6-ylmethanone is sourced from PubChem (CID 146515465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).