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

C18H19N7S — CID 70728202

IUPAC1-methyl-N-[3-(4-methyl-1,3-thiazol-2-yl)propyl]-6-pyridin-4-ylpyrazolo[3,4-d]pyrimidin-4-amine
SMILESCc1csc(CCCNc2nc(-c3ccncc3)nc3c2cnn3C)n1
InChIInChI=1S/C18H19N7S/c1-12-11-26-15(22-12)4-3-7-20-17-14-10-21-25(2)18(14)24-16(23-17)13-5-8-19-9-6-13/h5-6,8-11H,3-4,7H2,1-2H3,(H,20,23,24)
InChIKeyTVVFMZGEYNZNFY-UHFFFAOYSA-N
MW365.47 g/mol
LogP3.23
Rot. Bonds6

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

1-methyl-N-[3-(4-methyl-1,3-thiazol-2-yl)propyl]-6-pyridin-4-ylpyrazolo[3,4-d]pyrimidin-4-amine (PubChem CID 70728202) has the molecular formula C18H19N7S and a molecular weight of 365.47 g/mol. Its IUPAC name is 1-methyl-N-[3-(4-methyl-1,3-thiazol-2-yl)propyl]-6-pyridin-4-ylpyrazolo[3,4-d]pyrimidin-4-amine.

Molecular Properties

Compound Name1-methyl-N-[3-(4-methyl-1,3-thiazol-2-yl)propyl]-6-pyridin-4-ylpyrazolo[3,4-d]pyrimidin-4-amine
PubChem CID70728202
Molecular FormulaC18H19N7S
Molecular Weight365.47 g/mol
Exact Mass365.14
IUPAC Name1-methyl-N-[3-(4-methyl-1,3-thiazol-2-yl)propyl]-6-pyridin-4-ylpyrazolo[3,4-d]pyrimidin-4-amine
SMILESCc1csc(CCCNc2nc(-c3ccncc3)nc3c2cnn3C)n1
InChIInChI=1S/C18H19N7S/c1-12-11-26-15(22-12)4-3-7-20-17-14-10-21-25(2)18(14)24-16(23-17)13-5-8-19-9-6-13/h5-6,8-11H,3-4,7H2,1-2H3,(H,20,23,24)
InChIKeyTVVFMZGEYNZNFY-UHFFFAOYSA-N
XLogP3.23
TPSA81.41 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.47
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-N-[3-(4-methyl-1,3-thiazol-2-yl)propyl]-6-pyridin-4-ylpyrazolo[3,4-d]pyrimidin-4-amine?
The IUPAC name of 1-methyl-N-[3-(4-methyl-1,3-thiazol-2-yl)propyl]-6-pyridin-4-ylpyrazolo[3,4-d]pyrimidin-4-amine (CID 70728202) is 1-methyl-N-[3-(4-methyl-1,3-thiazol-2-yl)propyl]-6-pyridin-4-ylpyrazolo[3,4-d]pyrimidin-4-amine.
What is the SMILES notation for 1-methyl-N-[3-(4-methyl-1,3-thiazol-2-yl)propyl]-6-pyridin-4-ylpyrazolo[3,4-d]pyrimidin-4-amine?
The canonical SMILES for 1-methyl-N-[3-(4-methyl-1,3-thiazol-2-yl)propyl]-6-pyridin-4-ylpyrazolo[3,4-d]pyrimidin-4-amine is Cc1csc(CCCNc2nc(-c3ccncc3)nc3c2cnn3C)n1.
What is the InChIKey of 1-methyl-N-[3-(4-methyl-1,3-thiazol-2-yl)propyl]-6-pyridin-4-ylpyrazolo[3,4-d]pyrimidin-4-amine?
The InChIKey is TVVFMZGEYNZNFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N7S/c1-12-11-26-15(22-12)4-3-7-20-17-14-10-21-25(2)18(14)24-16(23-17)13-5-8-19-9-6-13/h5-6,8-11H,3-4,7H2,1-2H3,(H,20,23,24).
What are the key properties of 1-methyl-N-[3-(4-methyl-1,3-thiazol-2-yl)propyl]-6-pyridin-4-ylpyrazolo[3,4-d]pyrimidin-4-amine?
1-methyl-N-[3-(4-methyl-1,3-thiazol-2-yl)propyl]-6-pyridin-4-ylpyrazolo[3,4-d]pyrimidin-4-amine has a molecular weight of 365.47 g/mol, XLogP of 3.23, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-N-[3-(4-methyl-1,3-thiazol-2-yl)propyl]-6-pyridin-4-ylpyrazolo[3,4-d]pyrimidin-4-amine is sourced from PubChem (CID 70728202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).