7-(2-methoxyphenyl)-6-methyl-N-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]thieno[3,2-d]pyrimidin-2-amine

C23H26N6OS — CID 126495571

IUPAC7-(2-methoxyphenyl)-6-methyl-N-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]thieno[3,2-d]pyrimidin-2-amine
SMILESCOc1ccccc1-c1c(C)sc2cnc(Nc3cnn(C4CCN(C)CC4)c3)nc12
InChIInChI=1S/C23H26N6OS/c1-15-21(18-6-4-5-7-19(18)30-3)22-20(31-15)13-24-23(27-22)26-16-12-25-29(14-16)17-8-10-28(2)11-9-17/h4-7,12-14,17H,8-11H2,1-3H3,(H,24,26,27)
InChIKeyQGGUMMGLGDKANU-UHFFFAOYSA-N
MW434.57 g/mol
LogP4.88
Rot. Bonds5

About 7-(2-methoxyphenyl)-6-methyl-N-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]thieno[3,2-d]pyrimidin-2-amine

7-(2-methoxyphenyl)-6-methyl-N-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]thieno[3,2-d]pyrimidin-2-amine (PubChem CID 126495571) has the molecular formula C23H26N6OS and a molecular weight of 434.57 g/mol. Its IUPAC name is 7-(2-methoxyphenyl)-6-methyl-N-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]thieno[3,2-d]pyrimidin-2-amine.

Molecular Properties

Compound Name7-(2-methoxyphenyl)-6-methyl-N-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]thieno[3,2-d]pyrimidin-2-amine
PubChem CID126495571
Molecular FormulaC23H26N6OS
Molecular Weight434.57 g/mol
Exact Mass434.19
IUPAC Name7-(2-methoxyphenyl)-6-methyl-N-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]thieno[3,2-d]pyrimidin-2-amine
SMILESCOc1ccccc1-c1c(C)sc2cnc(Nc3cnn(C4CCN(C)CC4)c3)nc12
InChIInChI=1S/C23H26N6OS/c1-15-21(18-6-4-5-7-19(18)30-3)22-20(31-15)13-24-23(27-22)26-16-12-25-29(14-16)17-8-10-28(2)11-9-17/h4-7,12-14,17H,8-11H2,1-3H3,(H,24,26,27)
InChIKeyQGGUMMGLGDKANU-UHFFFAOYSA-N
XLogP4.88
TPSA68.10 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.57
LogP ≤ 54.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 7-(2-methoxyphenyl)-6-methyl-N-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]thieno[3,2-d]pyrimidin-2-amine?
The IUPAC name of 7-(2-methoxyphenyl)-6-methyl-N-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]thieno[3,2-d]pyrimidin-2-amine (CID 126495571) is 7-(2-methoxyphenyl)-6-methyl-N-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]thieno[3,2-d]pyrimidin-2-amine.
What is the SMILES notation for 7-(2-methoxyphenyl)-6-methyl-N-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]thieno[3,2-d]pyrimidin-2-amine?
The canonical SMILES for 7-(2-methoxyphenyl)-6-methyl-N-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]thieno[3,2-d]pyrimidin-2-amine is COc1ccccc1-c1c(C)sc2cnc(Nc3cnn(C4CCN(C)CC4)c3)nc12.
What is the InChIKey of 7-(2-methoxyphenyl)-6-methyl-N-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]thieno[3,2-d]pyrimidin-2-amine?
The InChIKey is QGGUMMGLGDKANU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N6OS/c1-15-21(18-6-4-5-7-19(18)30-3)22-20(31-15)13-24-23(27-22)26-16-12-25-29(14-16)17-8-10-28(2)11-9-17/h4-7,12-14,17H,8-11H2,1-3H3,(H,24,26,27).
What are the key properties of 7-(2-methoxyphenyl)-6-methyl-N-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]thieno[3,2-d]pyrimidin-2-amine?
7-(2-methoxyphenyl)-6-methyl-N-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]thieno[3,2-d]pyrimidin-2-amine has a molecular weight of 434.57 g/mol, XLogP of 4.88, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(2-methoxyphenyl)-6-methyl-N-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]thieno[3,2-d]pyrimidin-2-amine is sourced from PubChem (CID 126495571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).