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

C15H19N5S — CID 53499063

IUPACN-[(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)methyl]-2-(4-methyl-1,3-thiazol-2-yl)ethanamine
SMILESCc1csc(CCNCc2cnc3c(c2)c(C)nn3C)n1
InChIInChI=1S/C15H19N5S/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
InChIKeyVDUYCVPTXXMTLB-UHFFFAOYSA-N
MW301.42 g/mol
LogP2.37
Rot. Bonds5

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

N-[(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)methyl]-2-(4-methyl-1,3-thiazol-2-yl)ethanamine (PubChem CID 53499063) has the molecular formula C15H19N5S and a molecular weight of 301.42 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.

Molecular Properties

Compound NameN-[(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)methyl]-2-(4-methyl-1,3-thiazol-2-yl)ethanamine
PubChem CID53499063
Molecular FormulaC15H19N5S
Molecular Weight301.42 g/mol
Exact Mass301.14
IUPAC NameN-[(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)methyl]-2-(4-methyl-1,3-thiazol-2-yl)ethanamine
SMILESCc1csc(CCNCc2cnc3c(c2)c(C)nn3C)n1
InChIInChI=1S/C15H19N5S/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
InChIKeyVDUYCVPTXXMTLB-UHFFFAOYSA-N
XLogP2.37
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.42
LogP ≤ 52.37
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

4-[3-(Thiophen-3-yl)pyrazolo[1,5-a]pyrimidin-6-yl]pyridine
CID 5329467
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
3-((Pyridin-3-ylmethyl)thio)-6-(thiophen-2-yl)-[1,2,4]triazolo[4,3-b]pyridazine
CID 16194785
4-Benzylsulfanyl-1-phenyl-1H-pyrazolo[3,4-d]pyrimidine
CID 864620
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

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?
The IUPAC name of N-[(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)methyl]-2-(4-methyl-1,3-thiazol-2-yl)ethanamine (CID 53499063) is N-[(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)methyl]-2-(4-methyl-1,3-thiazol-2-yl)ethanamine.
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?
The canonical SMILES for N-[(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)methyl]-2-(4-methyl-1,3-thiazol-2-yl)ethanamine is Cc1csc(CCNCc2cnc3c(c2)c(C)nn3C)n1.
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?
The InChIKey is VDUYCVPTXXMTLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N5S/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.
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?
N-[(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)methyl]-2-(4-methyl-1,3-thiazol-2-yl)ethanamine has a molecular weight of 301.42 g/mol, XLogP of 2.37, 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 is sourced from PubChem (CID 53499063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).