2-[(4,6-dimethylpyrazolo[1,5-a]pyrazin-2-yl)iminomethyl]-5-piperidin-4-ylthiophen-3-amine

C18H22N6S — CID 168979298

IUPAC2-[(4,6-dimethylpyrazolo[1,5-a]pyrazin-2-yl)iminomethyl]-5-piperidin-4-ylthiophen-3-amine
SMILESCc1cn2nc(/N=C/c3sc(C4CCNCC4)cc3N)cc2c(C)n1
InChIInChI=1S/C18H22N6S/c1-11-10-24-15(12(2)22-11)8-18(23-24)21-9-17-14(19)7-16(25-17)13-3-5-20-6-4-13/h7-10,13,20H,3-6,19H2,1-2H3/b21-9+
InChIKeyLAEWPSFYSKAUDR-ZVBGSRNCSA-N
MW354.48 g/mol
LogP3.21
Rot. Bonds3

About 2-[(4,6-dimethylpyrazolo[1,5-a]pyrazin-2-yl)iminomethyl]-5-piperidin-4-ylthiophen-3-amine

2-[(4,6-dimethylpyrazolo[1,5-a]pyrazin-2-yl)iminomethyl]-5-piperidin-4-ylthiophen-3-amine (PubChem CID 168979298) has the molecular formula C18H22N6S and a molecular weight of 354.48 g/mol. Its IUPAC name is 2-[(4,6-dimethylpyrazolo[1,5-a]pyrazin-2-yl)iminomethyl]-5-piperidin-4-ylthiophen-3-amine.

Molecular Properties

Compound Name2-[(4,6-dimethylpyrazolo[1,5-a]pyrazin-2-yl)iminomethyl]-5-piperidin-4-ylthiophen-3-amine
PubChem CID168979298
Molecular FormulaC18H22N6S
Molecular Weight354.48 g/mol
Exact Mass354.16
IUPAC Name2-[(4,6-dimethylpyrazolo[1,5-a]pyrazin-2-yl)iminomethyl]-5-piperidin-4-ylthiophen-3-amine
SMILESCc1cn2nc(/N=C/c3sc(C4CCNCC4)cc3N)cc2c(C)n1
InChIInChI=1S/C18H22N6S/c1-11-10-24-15(12(2)22-11)8-18(23-24)21-9-17-14(19)7-16(25-17)13-3-5-20-6-4-13/h7-10,13,20H,3-6,19H2,1-2H3/b21-9+
InChIKeyLAEWPSFYSKAUDR-ZVBGSRNCSA-N
XLogP3.21
TPSA80.60 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.48
LogP ≤ 53.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

2-[(2,8-dimethylimidazo[1,2-b]pyridazin-6-yl)iminomethyl]-5-piperidin-4-ylthiophen-3-amine
CID 166922770
2-(4,6-dimethylpyrazolo[1,5-a]pyrazin-2-yl)-5-piperidin-4-ylthieno[2,3-c]pyrazole
CID 162433241
2-(4,6-dimethylpyrazolo[1,5-a]pyrazin-2-yl)-6-piperidin-4-ylimidazo[2,1-b][1,3]thiazole
CID 178050866
2-(6,8-dimethyl-[1,2,4]triazolo[1,5-a]pyrazin-2-yl)-5-piperidin-4-ylthieno[2,3-c]pyrazole
CID 166922997
4-[4-amino-5-[(2-methylindazol-5-yl)iminomethyl]thiophen-2-yl]borinane-1-carbonitrile
CID 162432900
4,6-dimethylpyrazolo[1,5-a]pyrazine-2-carboxamide
CID 156754889
2-(2,8-dimethylimidazo[1,2-a]pyrazin-6-yl)-5-piperidin-4-ylthieno[2,3-d][1,3]thiazole
CID 168979307
2,6-dimethyl-4-piperidin-4-ylpyridine
CID 82403777
5-(2,8-dimethylimidazo[1,2-b]pyridazin-6-yl)-2-piperidin-4-yl-6aH-thieno[2,3-d]imidazole
CID 168979206
2-(7-fluoro-5-piperazin-1-ylindazol-2-yl)-4,6-dimethylpyrazolo[1,5-a]pyrazine
CID 168902311
5-(2,8-dimethylimidazo[1,2-b]pyridazin-6-yl)-2-piperidin-4-yl-4H-imidazo[4,5-d][1,3]thiazole
CID 153383702
2,6-dimethyl-N-(5-piperidin-4-yl-1,3-thiazol-2-yl)pyridine-3-carboxamide;hydrochloride
CID 120998258

Frequently Asked Questions

What is the IUPAC name of 2-[(4,6-dimethylpyrazolo[1,5-a]pyrazin-2-yl)iminomethyl]-5-piperidin-4-ylthiophen-3-amine?
The IUPAC name of 2-[(4,6-dimethylpyrazolo[1,5-a]pyrazin-2-yl)iminomethyl]-5-piperidin-4-ylthiophen-3-amine (CID 168979298) is 2-[(4,6-dimethylpyrazolo[1,5-a]pyrazin-2-yl)iminomethyl]-5-piperidin-4-ylthiophen-3-amine.
What is the SMILES notation for 2-[(4,6-dimethylpyrazolo[1,5-a]pyrazin-2-yl)iminomethyl]-5-piperidin-4-ylthiophen-3-amine?
The canonical SMILES for 2-[(4,6-dimethylpyrazolo[1,5-a]pyrazin-2-yl)iminomethyl]-5-piperidin-4-ylthiophen-3-amine is Cc1cn2nc(/N=C/c3sc(C4CCNCC4)cc3N)cc2c(C)n1.
What is the InChIKey of 2-[(4,6-dimethylpyrazolo[1,5-a]pyrazin-2-yl)iminomethyl]-5-piperidin-4-ylthiophen-3-amine?
The InChIKey is LAEWPSFYSKAUDR-ZVBGSRNCSA-N. The full InChI is InChI=1S/C18H22N6S/c1-11-10-24-15(12(2)22-11)8-18(23-24)21-9-17-14(19)7-16(25-17)13-3-5-20-6-4-13/h7-10,13,20H,3-6,19H2,1-2H3/b21-9+.
What are the key properties of 2-[(4,6-dimethylpyrazolo[1,5-a]pyrazin-2-yl)iminomethyl]-5-piperidin-4-ylthiophen-3-amine?
2-[(4,6-dimethylpyrazolo[1,5-a]pyrazin-2-yl)iminomethyl]-5-piperidin-4-ylthiophen-3-amine has a molecular weight of 354.48 g/mol, XLogP of 3.21, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4,6-dimethylpyrazolo[1,5-a]pyrazin-2-yl)iminomethyl]-5-piperidin-4-ylthiophen-3-amine is sourced from PubChem (CID 168979298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).