5-[1-[(3-chloro-8-methoxy-4-oxo-5H-pyrazolo[1,5-a]quinoxalin-7-yl)methyl]-3,6-dihydro-2H-pyridin-4-yl]-N-methylpyridine-2-carboxamide

C24H23ClN6O3 — CID 171776819

IUPAC5-[1-[(3-chloro-8-methoxy-4-oxo-5H-pyrazolo[1,5-a]quinoxalin-7-yl)methyl]-3,6-dihydro-2H-pyridin-4-yl]-N-methylpyridine-2-carboxamide
SMILESCNC(=O)c1ccc(C2=CCN(Cc3cc4[nH]c(=O)c5c(Cl)cnn5c4cc3OC)CC2)cn1
InChIInChI=1S/C24H23ClN6O3/c1-26-23(32)18-4-3-15(11-27-18)14-5-7-30(8-6-14)13-16-9-19-20(10-21(16)34-2)31-22(24(33)29-19)17(25)12-28-31/h3-5,9-12H,6-8,13H2,1-2H3,(H,26,32)(H,29,33)
InChIKeyPPWJPEPBLMIKCD-UHFFFAOYSA-N
MW478.94 g/mol
LogP2.88
Rot. Bonds5

About 5-[1-[(3-chloro-8-methoxy-4-oxo-5H-pyrazolo[1,5-a]quinoxalin-7-yl)methyl]-3,6-dihydro-2H-pyridin-4-yl]-N-methylpyridine-2-carboxamide

5-[1-[(3-chloro-8-methoxy-4-oxo-5H-pyrazolo[1,5-a]quinoxalin-7-yl)methyl]-3,6-dihydro-2H-pyridin-4-yl]-N-methylpyridine-2-carboxamide (PubChem CID 171776819) has the molecular formula C24H23ClN6O3 and a molecular weight of 478.94 g/mol. Its IUPAC name is 5-[1-[(3-chloro-8-methoxy-4-oxo-5H-pyrazolo[1,5-a]quinoxalin-7-yl)methyl]-3,6-dihydro-2H-pyridin-4-yl]-N-methylpyridine-2-carboxamide.

Molecular Properties

Compound Name5-[1-[(3-chloro-8-methoxy-4-oxo-5H-pyrazolo[1,5-a]quinoxalin-7-yl)methyl]-3,6-dihydro-2H-pyridin-4-yl]-N-methylpyridine-2-carboxamide
PubChem CID171776819
Molecular FormulaC24H23ClN6O3
Molecular Weight478.94 g/mol
Exact Mass478.15
IUPAC Name5-[1-[(3-chloro-8-methoxy-4-oxo-5H-pyrazolo[1,5-a]quinoxalin-7-yl)methyl]-3,6-dihydro-2H-pyridin-4-yl]-N-methylpyridine-2-carboxamide
SMILESCNC(=O)c1ccc(C2=CCN(Cc3cc4[nH]c(=O)c5c(Cl)cnn5c4cc3OC)CC2)cn1
InChIInChI=1S/C24H23ClN6O3/c1-26-23(32)18-4-3-15(11-27-18)14-5-7-30(8-6-14)13-16-9-19-20(10-21(16)34-2)31-22(24(33)29-19)17(25)12-28-31/h3-5,9-12H,6-8,13H2,1-2H3,(H,26,32)(H,29,33)
InChIKeyPPWJPEPBLMIKCD-UHFFFAOYSA-N
XLogP2.88
TPSA104.62 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500478.94
LogP ≤ 52.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-[1-[(3-chloro-8-methoxy-4-oxo-5H-pyrazolo[1,5-a]quinoxalin-7-yl)methyl]-3,6-dihydro-2H-pyridin-4-yl]-N-methylpyridine-2-carboxamide?
The IUPAC name of 5-[1-[(3-chloro-8-methoxy-4-oxo-5H-pyrazolo[1,5-a]quinoxalin-7-yl)methyl]-3,6-dihydro-2H-pyridin-4-yl]-N-methylpyridine-2-carboxamide (CID 171776819) is 5-[1-[(3-chloro-8-methoxy-4-oxo-5H-pyrazolo[1,5-a]quinoxalin-7-yl)methyl]-3,6-dihydro-2H-pyridin-4-yl]-N-methylpyridine-2-carboxamide.
What is the SMILES notation for 5-[1-[(3-chloro-8-methoxy-4-oxo-5H-pyrazolo[1,5-a]quinoxalin-7-yl)methyl]-3,6-dihydro-2H-pyridin-4-yl]-N-methylpyridine-2-carboxamide?
The canonical SMILES for 5-[1-[(3-chloro-8-methoxy-4-oxo-5H-pyrazolo[1,5-a]quinoxalin-7-yl)methyl]-3,6-dihydro-2H-pyridin-4-yl]-N-methylpyridine-2-carboxamide is CNC(=O)c1ccc(C2=CCN(Cc3cc4[nH]c(=O)c5c(Cl)cnn5c4cc3OC)CC2)cn1.
What is the InChIKey of 5-[1-[(3-chloro-8-methoxy-4-oxo-5H-pyrazolo[1,5-a]quinoxalin-7-yl)methyl]-3,6-dihydro-2H-pyridin-4-yl]-N-methylpyridine-2-carboxamide?
The InChIKey is PPWJPEPBLMIKCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23ClN6O3/c1-26-23(32)18-4-3-15(11-27-18)14-5-7-30(8-6-14)13-16-9-19-20(10-21(16)34-2)31-22(24(33)29-19)17(25)12-28-31/h3-5,9-12H,6-8,13H2,1-2H3,(H,26,32)(H,29,33).
What are the key properties of 5-[1-[(3-chloro-8-methoxy-4-oxo-5H-pyrazolo[1,5-a]quinoxalin-7-yl)methyl]-3,6-dihydro-2H-pyridin-4-yl]-N-methylpyridine-2-carboxamide?
5-[1-[(3-chloro-8-methoxy-4-oxo-5H-pyrazolo[1,5-a]quinoxalin-7-yl)methyl]-3,6-dihydro-2H-pyridin-4-yl]-N-methylpyridine-2-carboxamide has a molecular weight of 478.94 g/mol, XLogP of 2.88, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-[(3-chloro-8-methoxy-4-oxo-5H-pyrazolo[1,5-a]quinoxalin-7-yl)methyl]-3,6-dihydro-2H-pyridin-4-yl]-N-methylpyridine-2-carboxamide is sourced from PubChem (CID 171776819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).