2-[(3-methoxyphenyl)methyl]-6-(1,3-thiazol-4-yl)pyrazolo[3,4-d]pyrimidin-4-amine

C16H14N6OS — CID 146268718

IUPAC2-[(3-methoxyphenyl)methyl]-6-(1,3-thiazol-4-yl)pyrazolo[3,4-d]pyrimidin-4-amine
SMILESCOc1cccc(Cn2cc3c(N)nc(-c4cscn4)nc3n2)c1
InChIInChI=1S/C16H14N6OS/c1-23-11-4-2-3-10(5-11)6-22-7-12-14(17)19-16(20-15(12)21-22)13-8-24-9-18-13/h2-5,7-9H,6H2,1H3,(H2,17,19,20,21)
InChIKeyBPJFVOSFPPIHFJ-UHFFFAOYSA-N
MW338.40 g/mol
LogP2.59
Rot. Bonds4

About 2-[(3-methoxyphenyl)methyl]-6-(1,3-thiazol-4-yl)pyrazolo[3,4-d]pyrimidin-4-amine

2-[(3-methoxyphenyl)methyl]-6-(1,3-thiazol-4-yl)pyrazolo[3,4-d]pyrimidin-4-amine (PubChem CID 146268718) has the molecular formula C16H14N6OS and a molecular weight of 338.40 g/mol. Its IUPAC name is 2-[(3-methoxyphenyl)methyl]-6-(1,3-thiazol-4-yl)pyrazolo[3,4-d]pyrimidin-4-amine.

Molecular Properties

Compound Name2-[(3-methoxyphenyl)methyl]-6-(1,3-thiazol-4-yl)pyrazolo[3,4-d]pyrimidin-4-amine
PubChem CID146268718
Molecular FormulaC16H14N6OS
Molecular Weight338.40 g/mol
Exact Mass338.09
IUPAC Name2-[(3-methoxyphenyl)methyl]-6-(1,3-thiazol-4-yl)pyrazolo[3,4-d]pyrimidin-4-amine
SMILESCOc1cccc(Cn2cc3c(N)nc(-c4cscn4)nc3n2)c1
InChIInChI=1S/C16H14N6OS/c1-23-11-4-2-3-10(5-11)6-22-7-12-14(17)19-16(20-15(12)21-22)13-8-24-9-18-13/h2-5,7-9H,6H2,1H3,(H2,17,19,20,21)
InChIKeyBPJFVOSFPPIHFJ-UHFFFAOYSA-N
XLogP2.59
TPSA91.74 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.40
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 2-[(3-methoxyphenyl)methyl]-6-(1,3-thiazol-4-yl)pyrazolo[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

6-(3-Methoxyphenyl)-3-pyridin-2-yl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
CID 662681
6-(4-Methoxyphenyl)-5-methyl-3-(3-thienyl)pyrazolo[1,5-a]pyrimidin-7-ylamine
CID 1481773
3-(3-Methoxyphenyl)-6-(pyridin-2-yl)[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
CID 665515
N-[(E)-(3-methoxyphenyl)methylideneamino]-3-methylsulfanyl-1-phenylpyrazolo[3,4-d]pyrimidin-4-amine
CID 70695458
gamma-Secretase modulator 5
CID 56592447
4-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]-N-(2-methyl-4,5,6,7-tetrahydroindazol-3-yl)-1,3-thiazol-2-amine
CID 56592448
N-[2-(2-methoxyethyl)-4,5,6,7-tetrahydroindazol-3-yl]-4-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]-1,3-thiazol-2-amine
CID 86275158
N-(2-ethyl-4,5,6,7-tetrahydroindazol-3-yl)-4-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]-N-methyl-1,3-thiazol-2-amine
CID 86275399
4-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-N-(2-methyl-4,5,6,7-tetrahydroindazol-3-yl)-1,3-thiazol-2-amine
CID 89657804
N-(2-ethyl-4,5,6,7-tetrahydroindazol-3-yl)-4-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-1,3-thiazol-2-amine
CID 89657805
1-(4-phenyl-1,3-thiazol-2-yl)-3-[4-(1H-pyrazolo[5,4-d]pyrimidin-4-yloxy)phenyl]urea
CID 118489472
N-[2-(2-fluoroethyl)-4,5,6,7-tetrahydroindazol-3-yl]-4-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]-1,3-thiazol-2-amine
CID 118684962

Frequently Asked Questions

What is the IUPAC name of 2-[(3-methoxyphenyl)methyl]-6-(1,3-thiazol-4-yl)pyrazolo[3,4-d]pyrimidin-4-amine?
The IUPAC name of 2-[(3-methoxyphenyl)methyl]-6-(1,3-thiazol-4-yl)pyrazolo[3,4-d]pyrimidin-4-amine (CID 146268718) is 2-[(3-methoxyphenyl)methyl]-6-(1,3-thiazol-4-yl)pyrazolo[3,4-d]pyrimidin-4-amine.
What is the SMILES notation for 2-[(3-methoxyphenyl)methyl]-6-(1,3-thiazol-4-yl)pyrazolo[3,4-d]pyrimidin-4-amine?
The canonical SMILES for 2-[(3-methoxyphenyl)methyl]-6-(1,3-thiazol-4-yl)pyrazolo[3,4-d]pyrimidin-4-amine is COc1cccc(Cn2cc3c(N)nc(-c4cscn4)nc3n2)c1.
What is the InChIKey of 2-[(3-methoxyphenyl)methyl]-6-(1,3-thiazol-4-yl)pyrazolo[3,4-d]pyrimidin-4-amine?
The InChIKey is BPJFVOSFPPIHFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N6OS/c1-23-11-4-2-3-10(5-11)6-22-7-12-14(17)19-16(20-15(12)21-22)13-8-24-9-18-13/h2-5,7-9H,6H2,1H3,(H2,17,19,20,21).
What are the key properties of 2-[(3-methoxyphenyl)methyl]-6-(1,3-thiazol-4-yl)pyrazolo[3,4-d]pyrimidin-4-amine?
2-[(3-methoxyphenyl)methyl]-6-(1,3-thiazol-4-yl)pyrazolo[3,4-d]pyrimidin-4-amine has a molecular weight of 338.40 g/mol, XLogP of 2.59, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-methoxyphenyl)methyl]-6-(1,3-thiazol-4-yl)pyrazolo[3,4-d]pyrimidin-4-amine is sourced from PubChem (CID 146268718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).