N-[(4-ethyl-2-methyl-1,3-thiazol-5-yl)methyl]-1-methyl-6-pyridin-3-ylpyrazolo[3,4-d]pyrimidin-4-amine

C18H19N7S — CID 56913799

IUPACN-[(4-ethyl-2-methyl-1,3-thiazol-5-yl)methyl]-1-methyl-6-pyridin-3-ylpyrazolo[3,4-d]pyrimidin-4-amine
SMILESCCc1nc(C)sc1CNc1nc(-c2cccnc2)nc2c1cnn2C
InChIInChI=1S/C18H19N7S/c1-4-14-15(26-11(2)22-14)10-20-17-13-9-21-25(3)18(13)24-16(23-17)12-6-5-7-19-8-12/h5-9H,4,10H2,1-3H3,(H,20,23,24)
InChIKeyVKERJSREVATCFK-UHFFFAOYSA-N
MW365.47 g/mol
LogP3.36
Rot. Bonds5

About N-[(4-ethyl-2-methyl-1,3-thiazol-5-yl)methyl]-1-methyl-6-pyridin-3-ylpyrazolo[3,4-d]pyrimidin-4-amine

N-[(4-ethyl-2-methyl-1,3-thiazol-5-yl)methyl]-1-methyl-6-pyridin-3-ylpyrazolo[3,4-d]pyrimidin-4-amine (PubChem CID 56913799) has the molecular formula C18H19N7S and a molecular weight of 365.47 g/mol. Its IUPAC name is N-[(4-ethyl-2-methyl-1,3-thiazol-5-yl)methyl]-1-methyl-6-pyridin-3-ylpyrazolo[3,4-d]pyrimidin-4-amine.

Molecular Properties

Compound NameN-[(4-ethyl-2-methyl-1,3-thiazol-5-yl)methyl]-1-methyl-6-pyridin-3-ylpyrazolo[3,4-d]pyrimidin-4-amine
PubChem CID56913799
Molecular FormulaC18H19N7S
Molecular Weight365.47 g/mol
Exact Mass365.14
IUPAC NameN-[(4-ethyl-2-methyl-1,3-thiazol-5-yl)methyl]-1-methyl-6-pyridin-3-ylpyrazolo[3,4-d]pyrimidin-4-amine
SMILESCCc1nc(C)sc1CNc1nc(-c2cccnc2)nc2c1cnn2C
InChIInChI=1S/C18H19N7S/c1-4-14-15(26-11(2)22-14)10-20-17-13-9-21-25(3)18(13)24-16(23-17)12-6-5-7-19-8-12/h5-9H,4,10H2,1-3H3,(H,20,23,24)
InChIKeyVKERJSREVATCFK-UHFFFAOYSA-N
XLogP3.36
TPSA81.41 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.47
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze N-[(4-ethyl-2-methyl-1,3-thiazol-5-yl)methyl]-1-methyl-6-pyridin-3-ylpyrazolo[3,4-d]pyrimidin-4-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Sgx-523
CID 24779724
Adx88178
CID 46836872
TH1020
CID 124203921
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
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
1-(4-fluorophenyl)-4-((pyridin-3-ylmethyl)thio)-1H-pyrazolo[3,4-d]pyrimidine
CID 7162108
3-((Pyridin-3-ylmethyl)thio)-6-(thiophen-2-yl)-[1,2,4]triazolo[4,3-b]pyridazine
CID 16194785
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-[(4-ethyl-2-methyl-1,3-thiazol-5-yl)methyl]-1-methyl-6-pyridin-3-ylpyrazolo[3,4-d]pyrimidin-4-amine?
The IUPAC name of N-[(4-ethyl-2-methyl-1,3-thiazol-5-yl)methyl]-1-methyl-6-pyridin-3-ylpyrazolo[3,4-d]pyrimidin-4-amine (CID 56913799) is N-[(4-ethyl-2-methyl-1,3-thiazol-5-yl)methyl]-1-methyl-6-pyridin-3-ylpyrazolo[3,4-d]pyrimidin-4-amine.
What is the SMILES notation for N-[(4-ethyl-2-methyl-1,3-thiazol-5-yl)methyl]-1-methyl-6-pyridin-3-ylpyrazolo[3,4-d]pyrimidin-4-amine?
The canonical SMILES for N-[(4-ethyl-2-methyl-1,3-thiazol-5-yl)methyl]-1-methyl-6-pyridin-3-ylpyrazolo[3,4-d]pyrimidin-4-amine is CCc1nc(C)sc1CNc1nc(-c2cccnc2)nc2c1cnn2C.
What is the InChIKey of N-[(4-ethyl-2-methyl-1,3-thiazol-5-yl)methyl]-1-methyl-6-pyridin-3-ylpyrazolo[3,4-d]pyrimidin-4-amine?
The InChIKey is VKERJSREVATCFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N7S/c1-4-14-15(26-11(2)22-14)10-20-17-13-9-21-25(3)18(13)24-16(23-17)12-6-5-7-19-8-12/h5-9H,4,10H2,1-3H3,(H,20,23,24).
What are the key properties of N-[(4-ethyl-2-methyl-1,3-thiazol-5-yl)methyl]-1-methyl-6-pyridin-3-ylpyrazolo[3,4-d]pyrimidin-4-amine?
N-[(4-ethyl-2-methyl-1,3-thiazol-5-yl)methyl]-1-methyl-6-pyridin-3-ylpyrazolo[3,4-d]pyrimidin-4-amine has a molecular weight of 365.47 g/mol, XLogP of 3.36, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-ethyl-2-methyl-1,3-thiazol-5-yl)methyl]-1-methyl-6-pyridin-3-ylpyrazolo[3,4-d]pyrimidin-4-amine is sourced from PubChem (CID 56913799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).