1,2-dimethyl-4-pyridin-2-yl-5-quinoxalin-6-ylpyrazol-3-one

C18H15N5O — CID 16730334

IUPAC1,2-dimethyl-4-pyridin-2-yl-5-quinoxalin-6-ylpyrazol-3-one
SMILESCn1c(-c2ccc3nccnc3c2)c(-c2ccccn2)c(=O)n1C
InChIInChI=1S/C18H15N5O/c1-22-17(12-6-7-13-15(11-12)21-10-9-20-13)16(18(24)23(22)2)14-5-3-4-8-19-14/h3-11H,1-2H3
InChIKeyPRJMKADMVLAAQA-UHFFFAOYSA-N
MW317.35 g/mol
LogP2.40
Rot. Bonds2

About 1,2-dimethyl-4-pyridin-2-yl-5-quinoxalin-6-ylpyrazol-3-one

1,2-dimethyl-4-pyridin-2-yl-5-quinoxalin-6-ylpyrazol-3-one (PubChem CID 16730334) has the molecular formula C18H15N5O and a molecular weight of 317.35 g/mol. Its IUPAC name is 1,2-dimethyl-4-pyridin-2-yl-5-quinoxalin-6-ylpyrazol-3-one.

Molecular Properties

Compound Name1,2-dimethyl-4-pyridin-2-yl-5-quinoxalin-6-ylpyrazol-3-one
PubChem CID16730334
Molecular FormulaC18H15N5O
Molecular Weight317.35 g/mol
Exact Mass317.13
IUPAC Name1,2-dimethyl-4-pyridin-2-yl-5-quinoxalin-6-ylpyrazol-3-one
SMILESCn1c(-c2ccc3nccnc3c2)c(-c2ccccn2)c(=O)n1C
InChIInChI=1S/C18H15N5O/c1-22-17(12-6-7-13-15(11-12)21-10-9-20-13)16(18(24)23(22)2)14-5-3-4-8-19-14/h3-11H,1-2H3
InChIKeyPRJMKADMVLAAQA-UHFFFAOYSA-N
XLogP2.40
TPSA65.60 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.35
LogP ≤ 52.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1,2-dimethyl-4-pyridin-2-yl-5-quinoxalin-6-ylpyrazol-3-one?
The IUPAC name of 1,2-dimethyl-4-pyridin-2-yl-5-quinoxalin-6-ylpyrazol-3-one (CID 16730334) is 1,2-dimethyl-4-pyridin-2-yl-5-quinoxalin-6-ylpyrazol-3-one.
What is the SMILES notation for 1,2-dimethyl-4-pyridin-2-yl-5-quinoxalin-6-ylpyrazol-3-one?
The canonical SMILES for 1,2-dimethyl-4-pyridin-2-yl-5-quinoxalin-6-ylpyrazol-3-one is Cn1c(-c2ccc3nccnc3c2)c(-c2ccccn2)c(=O)n1C.
What is the InChIKey of 1,2-dimethyl-4-pyridin-2-yl-5-quinoxalin-6-ylpyrazol-3-one?
The InChIKey is PRJMKADMVLAAQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15N5O/c1-22-17(12-6-7-13-15(11-12)21-10-9-20-13)16(18(24)23(22)2)14-5-3-4-8-19-14/h3-11H,1-2H3.
What are the key properties of 1,2-dimethyl-4-pyridin-2-yl-5-quinoxalin-6-ylpyrazol-3-one?
1,2-dimethyl-4-pyridin-2-yl-5-quinoxalin-6-ylpyrazol-3-one has a molecular weight of 317.35 g/mol, XLogP of 2.40, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-dimethyl-4-pyridin-2-yl-5-quinoxalin-6-ylpyrazol-3-one is sourced from PubChem (CID 16730334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).