N-[(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)methyl]-2-(4-methyl-1,3-thiazol-2-yl)ethanamine;hydrochloride

C15H20ClN5S — CID 53499062

IUPACN-[(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)methyl]-2-(4-methyl-1,3-thiazol-2-yl)ethanamine;hydrochloride
SMILESCc1csc(CCNCc2cnc3c(c2)c(C)nn3C)n1.Cl
InChIInChI=1S/C15H19N5S.ClH/c1-10-9-21-14(18-10)4-5-16-7-12-6-13-11(2)19-20(3)15(13)17-8-12;/h6,8-9,16H,4-5,7H2,1-3H3;1H
InChIKeyDZFWAQGUBZBPCQ-UHFFFAOYSA-N
MW337.88 g/mol
LogP2.80
Rot. Bonds5

About N-[(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)methyl]-2-(4-methyl-1,3-thiazol-2-yl)ethanamine;hydrochloride

N-[(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)methyl]-2-(4-methyl-1,3-thiazol-2-yl)ethanamine;hydrochloride (PubChem CID 53499062) has the molecular formula C15H20ClN5S and a molecular weight of 337.88 g/mol. Its IUPAC name is N-[(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)methyl]-2-(4-methyl-1,3-thiazol-2-yl)ethanamine;hydrochloride.

Molecular Properties

Compound NameN-[(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)methyl]-2-(4-methyl-1,3-thiazol-2-yl)ethanamine;hydrochloride
PubChem CID53499062
Molecular FormulaC15H20ClN5S
Molecular Weight337.88 g/mol
Exact Mass337.11
IUPAC NameN-[(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)methyl]-2-(4-methyl-1,3-thiazol-2-yl)ethanamine;hydrochloride
SMILESCc1csc(CCNCc2cnc3c(c2)c(C)nn3C)n1.Cl
InChIInChI=1S/C15H19N5S.ClH/c1-10-9-21-14(18-10)4-5-16-7-12-6-13-11(2)19-20(3)15(13)17-8-12;/h6,8-9,16H,4-5,7H2,1-3H3;1H
InChIKeyDZFWAQGUBZBPCQ-UHFFFAOYSA-N
XLogP2.80
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.88
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

1-[1-({4-[3-phenyl-5-(1,3-thiazol-2-yl)pyridin-2-yl]phenyl}methyl)piperidin-4-yl]-1H-pyrazolo[3,4-d]pyrimidin-4-amine
CID 24971394
N-[4-(1H-pyrazol-4-yl)-1,3-thiazol-2-yl]pyridin-2-amine
CID 42645487
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-Pyrazolo[1,5-a]pyrimidin-3-yl-1,3-benzothiazole
CID 156010635
2-{4-[(2E)-2-(pyridin-4-ylmethylidene)hydrazin-1-yl]-1H-pyrazolo[3,4-d]pyrimidin-1-yl}-1,3-thiazole
CID 91245989
4-Isopropylsulfanyl-1-phenyl-1H-pyrazolo[3,4-d]pyrimidine
CID 864540
1-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-4-(2-pyridinyl)-1H-pyrazol-5-amine
CID 1474437
4-(4-Methyl-benzylsulfanyl)-1-phenyl-1H-pyrazolo[3,4-d]pyrimidine
CID 3844442
2-[Phenyl-[4-(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)piperazin-1-yl]methyl]thiazole
CID 3011483
5,6-Dimethyl-4-{[1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl}thieno[2,3-d]pyrimidine
CID 3613241
3-(2-Fluorobenzyl)-7-(2-thiazolyl)-3H-[1,2,3]triazolo[4,5-d]pyrimidine-5-amine
CID 9858578
3-bromo-N-(pyridin-3-ylmethyl)-5-(thiophen-2-yl)pyrazolo[1,5-a]pyrimidin-7-amine
CID 10475216

Frequently Asked Questions

What is the IUPAC name of N-[(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)methyl]-2-(4-methyl-1,3-thiazol-2-yl)ethanamine;hydrochloride?
The IUPAC name of N-[(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)methyl]-2-(4-methyl-1,3-thiazol-2-yl)ethanamine;hydrochloride (CID 53499062) is N-[(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)methyl]-2-(4-methyl-1,3-thiazol-2-yl)ethanamine;hydrochloride.
What is the SMILES notation for N-[(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)methyl]-2-(4-methyl-1,3-thiazol-2-yl)ethanamine;hydrochloride?
The canonical SMILES for N-[(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)methyl]-2-(4-methyl-1,3-thiazol-2-yl)ethanamine;hydrochloride is Cc1csc(CCNCc2cnc3c(c2)c(C)nn3C)n1.Cl.
What is the InChIKey of N-[(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)methyl]-2-(4-methyl-1,3-thiazol-2-yl)ethanamine;hydrochloride?
The InChIKey is DZFWAQGUBZBPCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N5S.ClH/c1-10-9-21-14(18-10)4-5-16-7-12-6-13-11(2)19-20(3)15(13)17-8-12;/h6,8-9,16H,4-5,7H2,1-3H3;1H.
What are the key properties of N-[(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)methyl]-2-(4-methyl-1,3-thiazol-2-yl)ethanamine;hydrochloride?
N-[(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)methyl]-2-(4-methyl-1,3-thiazol-2-yl)ethanamine;hydrochloride has a molecular weight of 337.88 g/mol, XLogP of 2.80, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)methyl]-2-(4-methyl-1,3-thiazol-2-yl)ethanamine;hydrochloride is sourced from PubChem (CID 53499062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).