2-methyl-N-(1-methyl-6-pyridin-3-ylpyrazolo[3,4-d]pyrimidin-4-yl)-4,5,6,7-tetrahydro-1,3-benzothiazol-4-amine

C19H19N7S — CID 70785726

IUPAC2-methyl-N-(1-methyl-6-pyridin-3-ylpyrazolo[3,4-d]pyrimidin-4-yl)-4,5,6,7-tetrahydro-1,3-benzothiazol-4-amine
SMILESCc1nc2c(s1)CCCC2Nc1nc(-c2cccnc2)nc2c1cnn2C
InChIInChI=1S/C19H19N7S/c1-11-22-16-14(6-3-7-15(16)27-11)23-18-13-10-21-26(2)19(13)25-17(24-18)12-5-4-8-20-9-12/h4-5,8-10,14H,3,6-7H2,1-2H3,(H,23,24,25)
InChIKeyIJTKJFDBOCFDEW-UHFFFAOYSA-N
MW377.48 g/mol
LogP3.68
Rot. Bonds3

About 2-methyl-N-(1-methyl-6-pyridin-3-ylpyrazolo[3,4-d]pyrimidin-4-yl)-4,5,6,7-tetrahydro-1,3-benzothiazol-4-amine

2-methyl-N-(1-methyl-6-pyridin-3-ylpyrazolo[3,4-d]pyrimidin-4-yl)-4,5,6,7-tetrahydro-1,3-benzothiazol-4-amine (PubChem CID 70785726) has the molecular formula C19H19N7S and a molecular weight of 377.48 g/mol. Its IUPAC name is 2-methyl-N-(1-methyl-6-pyridin-3-ylpyrazolo[3,4-d]pyrimidin-4-yl)-4,5,6,7-tetrahydro-1,3-benzothiazol-4-amine.

Molecular Properties

Compound Name2-methyl-N-(1-methyl-6-pyridin-3-ylpyrazolo[3,4-d]pyrimidin-4-yl)-4,5,6,7-tetrahydro-1,3-benzothiazol-4-amine
PubChem CID70785726
Molecular FormulaC19H19N7S
Molecular Weight377.48 g/mol
Exact Mass377.14
IUPAC Name2-methyl-N-(1-methyl-6-pyridin-3-ylpyrazolo[3,4-d]pyrimidin-4-yl)-4,5,6,7-tetrahydro-1,3-benzothiazol-4-amine
SMILESCc1nc2c(s1)CCCC2Nc1nc(-c2cccnc2)nc2c1cnn2C
InChIInChI=1S/C19H19N7S/c1-11-22-16-14(6-3-7-15(16)27-11)23-18-13-10-21-26(2)19(13)25-17(24-18)12-5-4-8-20-9-12/h4-5,8-10,14H,3,6-7H2,1-2H3,(H,23,24,25)
InChIKeyIJTKJFDBOCFDEW-UHFFFAOYSA-N
XLogP3.68
TPSA81.41 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.48
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 2-methyl-N-(1-methyl-6-pyridin-3-ylpyrazolo[3,4-d]pyrimidin-4-yl)-4,5,6,7-tetrahydro-1,3-benzothiazol-4-amine with MolForge

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Related Compounds

1-methyl-N-(4-phenylbutyl)-6-pyridin-3-ylpyrazolo[3,4-d]pyrimidin-4-amine
CID 70732300
1-methyl-6-pyridin-2-yl-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]pyrazolo[3,4-d]pyrimidin-4-amine
CID 95726742
1-methyl-N-[(1S)-1-(2-methylpyrazol-3-yl)propyl]-6-pyridin-3-ylpyrazolo[3,4-d]pyrimidin-4-amine
CID 95707102
(2S)-2-methyl-1-(1-methyl-6-pyridin-3-ylpyrazolo[5,4-d]pyrimidin-4-yl)-1,4-diazepan-5-one
CID 95717258
1-methyl-4-[3-[(2R)-2-methylpiperidin-1-yl]azetidin-1-yl]-6-pyridin-3-ylpyrazolo[5,4-d]pyrimidine
CID 95730137
3-[[(4S)-2-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-4-yl]amino]pyrazine-2-carbonitrile
CID 39826147
N-[(1,5-dimethylpyrazol-4-yl)methyl]-10-pyridin-3-yl-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(12),2(6),8,10-tetraen-12-amine
CID 133405693
N-[(1R)-2-methoxy-1-(2-methylpyrazol-3-yl)ethyl]-1-methyl-6-pyridin-3-ylpyrazolo[3,4-d]pyrimidin-4-amine
CID 95721786
1-methyl-6-pyridin-3-yl-N-[2-(2H-triazol-4-ylsulfanyl)ethyl]pyrazolo[3,4-d]pyrimidin-4-amine
CID 56910147
3-methyl-1-(1-methyl-6-pyridin-3-ylpyrazolo[5,4-d]pyrimidin-4-yl)piperidin-3-ol
CID 56900542
N'-(1-methyl-6-pyridin-4-ylpyrazolo[3,4-d]pyrimidin-4-yl)-N-pyridin-3-ylethane-1,2-diamine
CID 56891402
N-(2-cyclopropyl-6,7,8,9-tetrahydro-5H-pyrimido[4,5-d]azepin-4-yl)-2-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-4-amine
CID 56913323

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-(1-methyl-6-pyridin-3-ylpyrazolo[3,4-d]pyrimidin-4-yl)-4,5,6,7-tetrahydro-1,3-benzothiazol-4-amine?
The IUPAC name of 2-methyl-N-(1-methyl-6-pyridin-3-ylpyrazolo[3,4-d]pyrimidin-4-yl)-4,5,6,7-tetrahydro-1,3-benzothiazol-4-amine (CID 70785726) is 2-methyl-N-(1-methyl-6-pyridin-3-ylpyrazolo[3,4-d]pyrimidin-4-yl)-4,5,6,7-tetrahydro-1,3-benzothiazol-4-amine.
What is the SMILES notation for 2-methyl-N-(1-methyl-6-pyridin-3-ylpyrazolo[3,4-d]pyrimidin-4-yl)-4,5,6,7-tetrahydro-1,3-benzothiazol-4-amine?
The canonical SMILES for 2-methyl-N-(1-methyl-6-pyridin-3-ylpyrazolo[3,4-d]pyrimidin-4-yl)-4,5,6,7-tetrahydro-1,3-benzothiazol-4-amine is Cc1nc2c(s1)CCCC2Nc1nc(-c2cccnc2)nc2c1cnn2C.
What is the InChIKey of 2-methyl-N-(1-methyl-6-pyridin-3-ylpyrazolo[3,4-d]pyrimidin-4-yl)-4,5,6,7-tetrahydro-1,3-benzothiazol-4-amine?
The InChIKey is IJTKJFDBOCFDEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N7S/c1-11-22-16-14(6-3-7-15(16)27-11)23-18-13-10-21-26(2)19(13)25-17(24-18)12-5-4-8-20-9-12/h4-5,8-10,14H,3,6-7H2,1-2H3,(H,23,24,25).
What are the key properties of 2-methyl-N-(1-methyl-6-pyridin-3-ylpyrazolo[3,4-d]pyrimidin-4-yl)-4,5,6,7-tetrahydro-1,3-benzothiazol-4-amine?
2-methyl-N-(1-methyl-6-pyridin-3-ylpyrazolo[3,4-d]pyrimidin-4-yl)-4,5,6,7-tetrahydro-1,3-benzothiazol-4-amine has a molecular weight of 377.48 g/mol, XLogP of 3.68, 3 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-(1-methyl-6-pyridin-3-ylpyrazolo[3,4-d]pyrimidin-4-yl)-4,5,6,7-tetrahydro-1,3-benzothiazol-4-amine is sourced from PubChem (CID 70785726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).