[2-(2,5-dimethylpyrazol-3-yl)sulfanylimidazo[1,2-a]pyridin-3-yl]methanamine

C13H15N5S — CID 63809693

IUPAC[2-(2,5-dimethylpyrazol-3-yl)sulfanylimidazo[1,2-a]pyridin-3-yl]methanamine
SMILESCc1cc(Sc2nc3ccccn3c2CN)n(C)n1
InChIInChI=1S/C13H15N5S/c1-9-7-12(17(2)16-9)19-13-10(8-14)18-6-4-3-5-11(18)15-13/h3-7H,8,14H2,1-2H3
InChIKeyBKRZHYROWVZYSU-UHFFFAOYSA-N
MW273.37 g/mol
LogP1.99
Rot. Bonds3

About [2-(2,5-dimethylpyrazol-3-yl)sulfanylimidazo[1,2-a]pyridin-3-yl]methanamine

[2-(2,5-dimethylpyrazol-3-yl)sulfanylimidazo[1,2-a]pyridin-3-yl]methanamine (PubChem CID 63809693) has the molecular formula C13H15N5S and a molecular weight of 273.37 g/mol. Its IUPAC name is [2-(2,5-dimethylpyrazol-3-yl)sulfanylimidazo[1,2-a]pyridin-3-yl]methanamine.

Molecular Properties

Compound Name[2-(2,5-dimethylpyrazol-3-yl)sulfanylimidazo[1,2-a]pyridin-3-yl]methanamine
PubChem CID63809693
Molecular FormulaC13H15N5S
Molecular Weight273.37 g/mol
Exact Mass273.10
IUPAC Name[2-(2,5-dimethylpyrazol-3-yl)sulfanylimidazo[1,2-a]pyridin-3-yl]methanamine
SMILESCc1cc(Sc2nc3ccccn3c2CN)n(C)n1
InChIInChI=1S/C13H15N5S/c1-9-7-12(17(2)16-9)19-13-10(8-14)18-6-4-3-5-11(18)15-13/h3-7H,8,14H2,1-2H3
InChIKeyBKRZHYROWVZYSU-UHFFFAOYSA-N
XLogP1.99
TPSA61.14 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.37
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N,4,12-trimethyl-3-thia-1,7,10-triazatricyclo[7.3.0.0^{2,6}]dodeca-2(6),4,7,9,11-pentaen-8-amine
CID 20823920
2-[(4,6-Dimethylpyrimidin-2-yl)sulfanylmethyl]imidazo[1,2-a]pyridine
CID 914229
N-(2-aminoethyl)-12-methyl-4-(1H-pyrazol-4-yl)-3-thia-1,7,10-triazatricyclo[7.3.0.0^{2,6}]dodeca-2(6),4,7,9,11-pentaen-8-amine
CID 25093431
2-((Pyridin-2-ylthio)methyl)imidazo[1,2-a]pyrimidine
CID 700162
4-(2-Methyl-imidazo[1,2-a]pyridin-3-yl)-thiazol-2-ylamine
CID 3104403
US10336761, Example 12
CID 126499877
2-[(1-Methylimidazol-2-yl)sulfanylmethyl]imidazo[1,2-a]pyridine
CID 2998592
3-(Imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)-[1,2,4]triazolo[4,3-a]pyridine
CID 2998786
3-[(5-Methylimidazo[1,2-a]pyridin-2-yl)methylsulfanyl]-[1,2,4]triazolo[4,3-a]pyridine
CID 3283367
N'-[4-(2H-imidazol-4-yl)-12-methyl-3-thia-1,7,10-triazatricyclo[7.3.0.02,6]dodeca-2(6),4,7,9,11-pentaen-8-yl]ethane-1,2-diamine
CID 44442024
2-Phenyl-5-thiophen-2-ylpyrazolo[4,3-d]pyrimidin-7-amine
CID 127035004
2-Phenyl-5-(thiophen-2-ylmethyl)pyrazolo[4,3-d]pyrimidin-7-amine
CID 127037440

Frequently Asked Questions

What is the IUPAC name of [2-(2,5-dimethylpyrazol-3-yl)sulfanylimidazo[1,2-a]pyridin-3-yl]methanamine?
The IUPAC name of [2-(2,5-dimethylpyrazol-3-yl)sulfanylimidazo[1,2-a]pyridin-3-yl]methanamine (CID 63809693) is [2-(2,5-dimethylpyrazol-3-yl)sulfanylimidazo[1,2-a]pyridin-3-yl]methanamine.
What is the SMILES notation for [2-(2,5-dimethylpyrazol-3-yl)sulfanylimidazo[1,2-a]pyridin-3-yl]methanamine?
The canonical SMILES for [2-(2,5-dimethylpyrazol-3-yl)sulfanylimidazo[1,2-a]pyridin-3-yl]methanamine is Cc1cc(Sc2nc3ccccn3c2CN)n(C)n1.
What is the InChIKey of [2-(2,5-dimethylpyrazol-3-yl)sulfanylimidazo[1,2-a]pyridin-3-yl]methanamine?
The InChIKey is BKRZHYROWVZYSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N5S/c1-9-7-12(17(2)16-9)19-13-10(8-14)18-6-4-3-5-11(18)15-13/h3-7H,8,14H2,1-2H3.
What are the key properties of [2-(2,5-dimethylpyrazol-3-yl)sulfanylimidazo[1,2-a]pyridin-3-yl]methanamine?
[2-(2,5-dimethylpyrazol-3-yl)sulfanylimidazo[1,2-a]pyridin-3-yl]methanamine has a molecular weight of 273.37 g/mol, XLogP of 1.99, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2,5-dimethylpyrazol-3-yl)sulfanylimidazo[1,2-a]pyridin-3-yl]methanamine is sourced from PubChem (CID 63809693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).