(5-chloro-1-methylpyrazol-3-yl)-[2-[(quinoxalin-2-ylamino)methyl]piperidin-1-yl]methanone

C19H21ClN6O — CID 167770550

IUPAC(5-chloro-1-methylpyrazol-3-yl)-[2-[(quinoxalin-2-ylamino)methyl]piperidin-1-yl]methanone
SMILESCn1nc(C(=O)N2CCCCC2CNc2cnc3ccccc3n2)cc1Cl
InChIInChI=1S/C19H21ClN6O/c1-25-17(20)10-16(24-25)19(27)26-9-5-4-6-13(26)11-22-18-12-21-14-7-2-3-8-15(14)23-18/h2-3,7-8,10,12-13H,4-6,9,11H2,1H3,(H,22,23)
InChIKeyVWMYXLZKZCWPHO-UHFFFAOYSA-N
MW384.87 g/mol
LogP3.12
Rot. Bonds4

About (5-chloro-1-methylpyrazol-3-yl)-[2-[(quinoxalin-2-ylamino)methyl]piperidin-1-yl]methanone

(5-chloro-1-methylpyrazol-3-yl)-[2-[(quinoxalin-2-ylamino)methyl]piperidin-1-yl]methanone (PubChem CID 167770550) has the molecular formula C19H21ClN6O and a molecular weight of 384.87 g/mol. Its IUPAC name is (5-chloro-1-methylpyrazol-3-yl)-[2-[(quinoxalin-2-ylamino)methyl]piperidin-1-yl]methanone.

Molecular Properties

Compound Name(5-chloro-1-methylpyrazol-3-yl)-[2-[(quinoxalin-2-ylamino)methyl]piperidin-1-yl]methanone
PubChem CID167770550
Molecular FormulaC19H21ClN6O
Molecular Weight384.87 g/mol
Exact Mass384.15
IUPAC Name(5-chloro-1-methylpyrazol-3-yl)-[2-[(quinoxalin-2-ylamino)methyl]piperidin-1-yl]methanone
SMILESCn1nc(C(=O)N2CCCCC2CNc2cnc3ccccc3n2)cc1Cl
InChIInChI=1S/C19H21ClN6O/c1-25-17(20)10-16(24-25)19(27)26-9-5-4-6-13(26)11-22-18-12-21-14-7-2-3-8-15(14)23-18/h2-3,7-8,10,12-13H,4-6,9,11H2,1H3,(H,22,23)
InChIKeyVWMYXLZKZCWPHO-UHFFFAOYSA-N
XLogP3.12
TPSA75.94 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.87
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze (5-chloro-1-methylpyrazol-3-yl)-[2-[(quinoxalin-2-ylamino)methyl]piperidin-1-yl]methanone with MolForge

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Related Compounds

[2-[[(6,7-difluoroquinoxalin-2-yl)amino]methyl]piperidin-1-yl]-isoquinolin-3-ylmethanone
CID 10296530
[(2S)-2-[[(6,7-difluoroquinoxalin-2-yl)amino]methyl]piperidin-1-yl]-(1-methylindol-2-yl)methanone
CID 67090360
[5-(4-fluorophenyl)-2-methyl-1,3-thiazol-4-yl]-[2-[(quinoxalin-2-ylamino)methyl]piperidin-1-yl]methanone
CID 10276421
[2-(methylaminomethyl)pyrrolidin-1-yl]-quinoxalin-2-ylmethanone
CID 103807625
[(2S)-2-[[(6,7-difluoroquinoxalin-2-yl)amino]methyl]piperidin-1-yl]-naphthalen-1-ylmethanone
CID 67090343
[2-[[(6,7-difluoroquinoxalin-2-yl)amino]methyl]piperidin-1-yl]-[5-(4-fluorophenyl)-1-methyltriazol-4-yl]methanone
CID 67090365
2-[[(6,7-difluoroquinoxalin-2-yl)amino]methyl]piperidine-1-carboxylic acid
CID 67090810
[2-[[(6,7-difluoroquinoxalin-2-yl)amino]methyl]piperidin-1-yl]-[2-(trifluoromethoxy)phenyl]methanone
CID 10298609
[2-[[(6,7-difluoroquinoxalin-2-yl)amino]methyl]piperidin-1-yl]-[2-[3-(dimethylamino)propoxy]phenyl]methanone
CID 10227845
[(2S)-2-[[(6,7-difluoroquinoxalin-2-yl)amino]methyl]piperidin-1-yl]-(1H-indol-6-yl)methanone
CID 67089912
[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]-quinoxalin-2-ylmethanone
CID 79029003
[2-[[(6,7-difluoroquinoxalin-2-yl)amino]methyl]pyrrolidin-1-yl]-[5-(2-fluorophenyl)-1,3-thiazol-4-yl]methanone
CID 67090586

Frequently Asked Questions

What is the IUPAC name of (5-chloro-1-methylpyrazol-3-yl)-[2-[(quinoxalin-2-ylamino)methyl]piperidin-1-yl]methanone?
The IUPAC name of (5-chloro-1-methylpyrazol-3-yl)-[2-[(quinoxalin-2-ylamino)methyl]piperidin-1-yl]methanone (CID 167770550) is (5-chloro-1-methylpyrazol-3-yl)-[2-[(quinoxalin-2-ylamino)methyl]piperidin-1-yl]methanone.
What is the SMILES notation for (5-chloro-1-methylpyrazol-3-yl)-[2-[(quinoxalin-2-ylamino)methyl]piperidin-1-yl]methanone?
The canonical SMILES for (5-chloro-1-methylpyrazol-3-yl)-[2-[(quinoxalin-2-ylamino)methyl]piperidin-1-yl]methanone is Cn1nc(C(=O)N2CCCCC2CNc2cnc3ccccc3n2)cc1Cl.
What is the InChIKey of (5-chloro-1-methylpyrazol-3-yl)-[2-[(quinoxalin-2-ylamino)methyl]piperidin-1-yl]methanone?
The InChIKey is VWMYXLZKZCWPHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21ClN6O/c1-25-17(20)10-16(24-25)19(27)26-9-5-4-6-13(26)11-22-18-12-21-14-7-2-3-8-15(14)23-18/h2-3,7-8,10,12-13H,4-6,9,11H2,1H3,(H,22,23).
What are the key properties of (5-chloro-1-methylpyrazol-3-yl)-[2-[(quinoxalin-2-ylamino)methyl]piperidin-1-yl]methanone?
(5-chloro-1-methylpyrazol-3-yl)-[2-[(quinoxalin-2-ylamino)methyl]piperidin-1-yl]methanone has a molecular weight of 384.87 g/mol, XLogP of 3.12, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (5-chloro-1-methylpyrazol-3-yl)-[2-[(quinoxalin-2-ylamino)methyl]piperidin-1-yl]methanone is sourced from PubChem (CID 167770550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).