5-[1-[(3-chloro-9-methyl-4-oxo-5H-pyrazolo[1,5-a]quinoxalin-7-yl)methyl]-3,6-dihydro-2H-pyridin-4-yl]-N-methylpyridine-2-carboxamide

C24H23ClN6O2 — CID 171776784

IUPAC5-[1-[(3-chloro-9-methyl-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(Cc3cc(C)c4c(c3)[nH]c(=O)c3c(Cl)cnn34)CC2)cn1
InChIInChI=1S/C24H23ClN6O2/c1-14-9-15(10-20-21(14)31-22(24(33)29-20)18(25)12-28-31)13-30-7-5-16(6-8-30)17-3-4-19(27-11-17)23(32)26-2/h3-5,9-12H,6-8,13H2,1-2H3,(H,26,32)(H,29,33)
InChIKeySNSMQQFILPBLAO-UHFFFAOYSA-N
MW462.94 g/mol
LogP3.18
Rot. Bonds4

About 5-[1-[(3-chloro-9-methyl-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-9-methyl-4-oxo-5H-pyrazolo[1,5-a]quinoxalin-7-yl)methyl]-3,6-dihydro-2H-pyridin-4-yl]-N-methylpyridine-2-carboxamide (PubChem CID 171776784) has the molecular formula C24H23ClN6O2 and a molecular weight of 462.94 g/mol. Its IUPAC name is 5-[1-[(3-chloro-9-methyl-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-9-methyl-4-oxo-5H-pyrazolo[1,5-a]quinoxalin-7-yl)methyl]-3,6-dihydro-2H-pyridin-4-yl]-N-methylpyridine-2-carboxamide
PubChem CID171776784
Molecular FormulaC24H23ClN6O2
Molecular Weight462.94 g/mol
Exact Mass462.16
IUPAC Name5-[1-[(3-chloro-9-methyl-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(Cc3cc(C)c4c(c3)[nH]c(=O)c3c(Cl)cnn34)CC2)cn1
InChIInChI=1S/C24H23ClN6O2/c1-14-9-15(10-20-21(14)31-22(24(33)29-20)18(25)12-28-31)13-30-7-5-16(6-8-30)17-3-4-19(27-11-17)23(32)26-2/h3-5,9-12H,6-8,13H2,1-2H3,(H,26,32)(H,29,33)
InChIKeySNSMQQFILPBLAO-UHFFFAOYSA-N
XLogP3.18
TPSA95.39 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500462.94
LogP ≤ 53.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 5-[1-[(3-chloro-9-methyl-4-oxo-5H-pyrazolo[1,5-a]quinoxalin-7-yl)methyl]-3,6-dihydro-2H-pyridin-4-yl]-N-methylpyridine-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-[1-[(3-chloro-9-methyl-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-9-methyl-4-oxo-5H-pyrazolo[1,5-a]quinoxalin-7-yl)methyl]-3,6-dihydro-2H-pyridin-4-yl]-N-methylpyridine-2-carboxamide (CID 171776784) is 5-[1-[(3-chloro-9-methyl-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-9-methyl-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-9-methyl-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(Cc3cc(C)c4c(c3)[nH]c(=O)c3c(Cl)cnn34)CC2)cn1.
What is the InChIKey of 5-[1-[(3-chloro-9-methyl-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 SNSMQQFILPBLAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23ClN6O2/c1-14-9-15(10-20-21(14)31-22(24(33)29-20)18(25)12-28-31)13-30-7-5-16(6-8-30)17-3-4-19(27-11-17)23(32)26-2/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-9-methyl-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-9-methyl-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 462.94 g/mol, XLogP of 3.18, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-[(3-chloro-9-methyl-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 171776784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).