N-[1-(8-chloroquinoxaline-6-carbonyl)piperidin-4-yl]-3-ethoxy-1-methylpyrazole-5-carboxamide

C21H23ClN6O3 — CID 163936372

IUPACN-[1-(8-chloroquinoxaline-6-carbonyl)piperidin-4-yl]-3-ethoxy-1-methylpyrazole-5-carboxamide
SMILESCCOc1cc(C(=O)NC2CCN(C(=O)c3cc(Cl)c4nccnc4c3)CC2)n(C)n1
InChIInChI=1S/C21H23ClN6O3/c1-3-31-18-12-17(27(2)26-18)20(29)25-14-4-8-28(9-5-14)21(30)13-10-15(22)19-16(11-13)23-6-7-24-19/h6-7,10-12,14H,3-5,8-9H2,1-2H3,(H,25,29)
InChIKeyRNEHMMNHZOCCGV-UHFFFAOYSA-N
MW442.91 g/mol
LogP2.45
Rot. Bonds5

About N-[1-(8-chloroquinoxaline-6-carbonyl)piperidin-4-yl]-3-ethoxy-1-methylpyrazole-5-carboxamide

N-[1-(8-chloroquinoxaline-6-carbonyl)piperidin-4-yl]-3-ethoxy-1-methylpyrazole-5-carboxamide (PubChem CID 163936372) has the molecular formula C21H23ClN6O3 and a molecular weight of 442.91 g/mol. Its IUPAC name is N-[1-(8-chloroquinoxaline-6-carbonyl)piperidin-4-yl]-3-ethoxy-1-methylpyrazole-5-carboxamide.

Molecular Properties

Compound NameN-[1-(8-chloroquinoxaline-6-carbonyl)piperidin-4-yl]-3-ethoxy-1-methylpyrazole-5-carboxamide
PubChem CID163936372
Molecular FormulaC21H23ClN6O3
Molecular Weight442.91 g/mol
Exact Mass442.15
IUPAC NameN-[1-(8-chloroquinoxaline-6-carbonyl)piperidin-4-yl]-3-ethoxy-1-methylpyrazole-5-carboxamide
SMILESCCOc1cc(C(=O)NC2CCN(C(=O)c3cc(Cl)c4nccnc4c3)CC2)n(C)n1
InChIInChI=1S/C21H23ClN6O3/c1-3-31-18-12-17(27(2)26-18)20(29)25-14-4-8-28(9-5-14)21(30)13-10-15(22)19-16(11-13)23-6-7-24-19/h6-7,10-12,14H,3-5,8-9H2,1-2H3,(H,25,29)
InChIKeyRNEHMMNHZOCCGV-UHFFFAOYSA-N
XLogP2.45
TPSA102.24 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.91
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[1-(8-chloroquinoxaline-6-carbonyl)piperidin-4-yl]-3-ethoxy-1-methylpyrazole-5-carboxamide?
The IUPAC name of N-[1-(8-chloroquinoxaline-6-carbonyl)piperidin-4-yl]-3-ethoxy-1-methylpyrazole-5-carboxamide (CID 163936372) is N-[1-(8-chloroquinoxaline-6-carbonyl)piperidin-4-yl]-3-ethoxy-1-methylpyrazole-5-carboxamide.
What is the SMILES notation for N-[1-(8-chloroquinoxaline-6-carbonyl)piperidin-4-yl]-3-ethoxy-1-methylpyrazole-5-carboxamide?
The canonical SMILES for N-[1-(8-chloroquinoxaline-6-carbonyl)piperidin-4-yl]-3-ethoxy-1-methylpyrazole-5-carboxamide is CCOc1cc(C(=O)NC2CCN(C(=O)c3cc(Cl)c4nccnc4c3)CC2)n(C)n1.
What is the InChIKey of N-[1-(8-chloroquinoxaline-6-carbonyl)piperidin-4-yl]-3-ethoxy-1-methylpyrazole-5-carboxamide?
The InChIKey is RNEHMMNHZOCCGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23ClN6O3/c1-3-31-18-12-17(27(2)26-18)20(29)25-14-4-8-28(9-5-14)21(30)13-10-15(22)19-16(11-13)23-6-7-24-19/h6-7,10-12,14H,3-5,8-9H2,1-2H3,(H,25,29).
What are the key properties of N-[1-(8-chloroquinoxaline-6-carbonyl)piperidin-4-yl]-3-ethoxy-1-methylpyrazole-5-carboxamide?
N-[1-(8-chloroquinoxaline-6-carbonyl)piperidin-4-yl]-3-ethoxy-1-methylpyrazole-5-carboxamide has a molecular weight of 442.91 g/mol, XLogP of 2.45, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(8-chloroquinoxaline-6-carbonyl)piperidin-4-yl]-3-ethoxy-1-methylpyrazole-5-carboxamide is sourced from PubChem (CID 163936372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).