N-[1-(6-chloroquinoxalin-2-yl)piperidin-3-yl]-1,5-dimethylpyrazole-3-carboxamide

C19H21ClN6O — CID 172903697

IUPACN-[1-(6-chloroquinoxalin-2-yl)piperidin-3-yl]-1,5-dimethylpyrazole-3-carboxamide
SMILESCc1cc(C(=O)NC2CCCN(c3cnc4cc(Cl)ccc4n3)C2)nn1C
InChIInChI=1S/C19H21ClN6O/c1-12-8-17(24-25(12)2)19(27)22-14-4-3-7-26(11-14)18-10-21-16-9-13(20)5-6-15(16)23-18/h5-6,8-10,14H,3-4,7,11H2,1-2H3,(H,22,27)
InChIKeyOWSHKZMUMJOWSB-UHFFFAOYSA-N
MW384.87 g/mol
LogP2.72
Rot. Bonds3

About N-[1-(6-chloroquinoxalin-2-yl)piperidin-3-yl]-1,5-dimethylpyrazole-3-carboxamide

N-[1-(6-chloroquinoxalin-2-yl)piperidin-3-yl]-1,5-dimethylpyrazole-3-carboxamide (PubChem CID 172903697) has the molecular formula C19H21ClN6O and a molecular weight of 384.87 g/mol. Its IUPAC name is N-[1-(6-chloroquinoxalin-2-yl)piperidin-3-yl]-1,5-dimethylpyrazole-3-carboxamide.

Molecular Properties

Compound NameN-[1-(6-chloroquinoxalin-2-yl)piperidin-3-yl]-1,5-dimethylpyrazole-3-carboxamide
PubChem CID172903697
Molecular FormulaC19H21ClN6O
Molecular Weight384.87 g/mol
Exact Mass384.15
IUPAC NameN-[1-(6-chloroquinoxalin-2-yl)piperidin-3-yl]-1,5-dimethylpyrazole-3-carboxamide
SMILESCc1cc(C(=O)NC2CCCN(c3cnc4cc(Cl)ccc4n3)C2)nn1C
InChIInChI=1S/C19H21ClN6O/c1-12-8-17(24-25(12)2)19(27)22-14-4-3-7-26(11-14)18-10-21-16-9-13(20)5-6-15(16)23-18/h5-6,8-10,14H,3-4,7,11H2,1-2H3,(H,22,27)
InChIKeyOWSHKZMUMJOWSB-UHFFFAOYSA-N
XLogP2.72
TPSA75.94 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.87
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[1-(6-chloroquinoxalin-2-yl)piperidin-3-yl]-1,5-dimethylpyrazole-3-carboxamide with MolForge

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

Launch Full Analysis

Related Compounds

N-[1-(6-chloroquinoxalin-2-yl)piperidin-3-yl]pyrimidine-4-carboxamide
CID 175650980
N-[1-(6-chloroquinoxalin-2-yl)piperidin-3-yl]pyridine-3-carboxamide
CID 175651012
N-[1-(7-methoxy-4-methylquinolin-2-yl)piperidin-3-yl]-1,5-dimethylpyrazole-3-carboxamide
CID 172903824
N-[1-(3-chloro-5-cyano-2-pyridinyl)piperidin-3-yl]-1,5-dimethylpyrazole-3-carboxamide
CID 172891175
1,5-dimethyl-N-[1-[2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]piperidin-3-yl]pyrazole-3-carboxamide
CID 172900391
N-[(3R)-1-(4-fluoro-2-methylphenyl)piperidin-3-yl]-1,5-dimethylpyrazole-3-carboxamide
CID 95629403
N-[1-(4,5-dimethyl-1,3-thiazol-2-yl)piperidin-3-yl]-1,5-dimethylpyrazole-3-carboxamide
CID 172899622
1,5-dimethyl-N-[1-(1,3-thiazol-2-yl)piperidin-3-yl]pyrazole-3-carboxamide
CID 172899582
N-[1-(2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-yl)piperidin-3-yl]-1,5-dimethylpyrazole-3-carboxamide
CID 172902803
1,5-dimethyl-N-[1-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)piperidin-3-yl]pyrazole-3-carboxamide
CID 172900070
N-[1-(5-bromo-3-cyano-2-pyridinyl)piperidin-3-yl]-1,5-dimethylpyrazole-3-carboxamide
CID 172900633
2-N-[1-(6-chloroquinoxalin-2-yl)piperidin-3-yl]-4-N,4-N-dimethylpyrimidine-2,4-diamine
CID 171999798

Frequently Asked Questions

What is the IUPAC name of N-[1-(6-chloroquinoxalin-2-yl)piperidin-3-yl]-1,5-dimethylpyrazole-3-carboxamide?
The IUPAC name of N-[1-(6-chloroquinoxalin-2-yl)piperidin-3-yl]-1,5-dimethylpyrazole-3-carboxamide (CID 172903697) is N-[1-(6-chloroquinoxalin-2-yl)piperidin-3-yl]-1,5-dimethylpyrazole-3-carboxamide.
What is the SMILES notation for N-[1-(6-chloroquinoxalin-2-yl)piperidin-3-yl]-1,5-dimethylpyrazole-3-carboxamide?
The canonical SMILES for N-[1-(6-chloroquinoxalin-2-yl)piperidin-3-yl]-1,5-dimethylpyrazole-3-carboxamide is Cc1cc(C(=O)NC2CCCN(c3cnc4cc(Cl)ccc4n3)C2)nn1C.
What is the InChIKey of N-[1-(6-chloroquinoxalin-2-yl)piperidin-3-yl]-1,5-dimethylpyrazole-3-carboxamide?
The InChIKey is OWSHKZMUMJOWSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21ClN6O/c1-12-8-17(24-25(12)2)19(27)22-14-4-3-7-26(11-14)18-10-21-16-9-13(20)5-6-15(16)23-18/h5-6,8-10,14H,3-4,7,11H2,1-2H3,(H,22,27).
What are the key properties of N-[1-(6-chloroquinoxalin-2-yl)piperidin-3-yl]-1,5-dimethylpyrazole-3-carboxamide?
N-[1-(6-chloroquinoxalin-2-yl)piperidin-3-yl]-1,5-dimethylpyrazole-3-carboxamide has a molecular weight of 384.87 g/mol, XLogP of 2.72, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(6-chloroquinoxalin-2-yl)piperidin-3-yl]-1,5-dimethylpyrazole-3-carboxamide is sourced from PubChem (CID 172903697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).