7-(2,3-dihydro-1-benzofuran-7-yl)-6-methyl-N-(1-piperidin-4-ylpyrazol-4-yl)thieno[3,2-d]pyrimidin-2-amine

C23H24N6OS — CID 126495539

IUPAC7-(2,3-dihydro-1-benzofuran-7-yl)-6-methyl-N-(1-piperidin-4-ylpyrazol-4-yl)thieno[3,2-d]pyrimidin-2-amine
SMILESCc1sc2cnc(Nc3cnn(C4CCNCC4)c3)nc2c1-c1cccc2c1OCC2
InChIInChI=1S/C23H24N6OS/c1-14-20(18-4-2-3-15-7-10-30-22(15)18)21-19(31-14)12-25-23(28-21)27-16-11-26-29(13-16)17-5-8-24-9-6-17/h2-4,11-13,17,24H,5-10H2,1H3,(H,25,27,28)
InChIKeyKKPNAHUNEHVVFX-UHFFFAOYSA-N
MW432.55 g/mol
LogP4.47
Rot. Bonds4

About 7-(2,3-dihydro-1-benzofuran-7-yl)-6-methyl-N-(1-piperidin-4-ylpyrazol-4-yl)thieno[3,2-d]pyrimidin-2-amine

7-(2,3-dihydro-1-benzofuran-7-yl)-6-methyl-N-(1-piperidin-4-ylpyrazol-4-yl)thieno[3,2-d]pyrimidin-2-amine (PubChem CID 126495539) has the molecular formula C23H24N6OS and a molecular weight of 432.55 g/mol. Its IUPAC name is 7-(2,3-dihydro-1-benzofuran-7-yl)-6-methyl-N-(1-piperidin-4-ylpyrazol-4-yl)thieno[3,2-d]pyrimidin-2-amine.

Molecular Properties

Compound Name7-(2,3-dihydro-1-benzofuran-7-yl)-6-methyl-N-(1-piperidin-4-ylpyrazol-4-yl)thieno[3,2-d]pyrimidin-2-amine
PubChem CID126495539
Molecular FormulaC23H24N6OS
Molecular Weight432.55 g/mol
Exact Mass432.17
IUPAC Name7-(2,3-dihydro-1-benzofuran-7-yl)-6-methyl-N-(1-piperidin-4-ylpyrazol-4-yl)thieno[3,2-d]pyrimidin-2-amine
SMILESCc1sc2cnc(Nc3cnn(C4CCNCC4)c3)nc2c1-c1cccc2c1OCC2
InChIInChI=1S/C23H24N6OS/c1-14-20(18-4-2-3-15-7-10-30-22(15)18)21-19(31-14)12-25-23(28-21)27-16-11-26-29(13-16)17-5-8-24-9-6-17/h2-4,11-13,17,24H,5-10H2,1H3,(H,25,27,28)
InChIKeyKKPNAHUNEHVVFX-UHFFFAOYSA-N
XLogP4.47
TPSA76.89 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.55
LogP ≤ 54.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 7-(2,3-dihydro-1-benzofuran-7-yl)-6-methyl-N-(1-piperidin-4-ylpyrazol-4-yl)thieno[3,2-d]pyrimidin-2-amine?
The IUPAC name of 7-(2,3-dihydro-1-benzofuran-7-yl)-6-methyl-N-(1-piperidin-4-ylpyrazol-4-yl)thieno[3,2-d]pyrimidin-2-amine (CID 126495539) is 7-(2,3-dihydro-1-benzofuran-7-yl)-6-methyl-N-(1-piperidin-4-ylpyrazol-4-yl)thieno[3,2-d]pyrimidin-2-amine.
What is the SMILES notation for 7-(2,3-dihydro-1-benzofuran-7-yl)-6-methyl-N-(1-piperidin-4-ylpyrazol-4-yl)thieno[3,2-d]pyrimidin-2-amine?
The canonical SMILES for 7-(2,3-dihydro-1-benzofuran-7-yl)-6-methyl-N-(1-piperidin-4-ylpyrazol-4-yl)thieno[3,2-d]pyrimidin-2-amine is Cc1sc2cnc(Nc3cnn(C4CCNCC4)c3)nc2c1-c1cccc2c1OCC2.
What is the InChIKey of 7-(2,3-dihydro-1-benzofuran-7-yl)-6-methyl-N-(1-piperidin-4-ylpyrazol-4-yl)thieno[3,2-d]pyrimidin-2-amine?
The InChIKey is KKPNAHUNEHVVFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N6OS/c1-14-20(18-4-2-3-15-7-10-30-22(15)18)21-19(31-14)12-25-23(28-21)27-16-11-26-29(13-16)17-5-8-24-9-6-17/h2-4,11-13,17,24H,5-10H2,1H3,(H,25,27,28).
What are the key properties of 7-(2,3-dihydro-1-benzofuran-7-yl)-6-methyl-N-(1-piperidin-4-ylpyrazol-4-yl)thieno[3,2-d]pyrimidin-2-amine?
7-(2,3-dihydro-1-benzofuran-7-yl)-6-methyl-N-(1-piperidin-4-ylpyrazol-4-yl)thieno[3,2-d]pyrimidin-2-amine has a molecular weight of 432.55 g/mol, XLogP of 4.47, 4 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(2,3-dihydro-1-benzofuran-7-yl)-6-methyl-N-(1-piperidin-4-ylpyrazol-4-yl)thieno[3,2-d]pyrimidin-2-amine is sourced from PubChem (CID 126495539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).