4-(3-methoxypyrrolidin-1-yl)-2-(1-methylimidazol-2-yl)-6-(1-methylpyrazol-4-yl)-5-phenylthieno[2,3-d]pyrimidine

C25H25N7OS — CID 167390222

IUPAC4-(3-methoxypyrrolidin-1-yl)-2-(1-methylimidazol-2-yl)-6-(1-methylpyrazol-4-yl)-5-phenylthieno[2,3-d]pyrimidine
SMILESCOC1CCN(c2nc(-c3nccn3C)nc3sc(-c4cnn(C)c4)c(-c4ccccc4)c23)C1
InChIInChI=1S/C25H25N7OS/c1-30-12-10-26-24(30)22-28-23(32-11-9-18(15-32)33-3)20-19(16-7-5-4-6-8-16)21(34-25(20)29-22)17-13-27-31(2)14-17/h4-8,10,12-14,18H,9,11,15H2,1-3H3
InChIKeyJULKAXKAFRVWQI-UHFFFAOYSA-N
MW471.59 g/mol
LogP4.38
Rot. Bonds5

About 4-(3-methoxypyrrolidin-1-yl)-2-(1-methylimidazol-2-yl)-6-(1-methylpyrazol-4-yl)-5-phenylthieno[2,3-d]pyrimidine

4-(3-methoxypyrrolidin-1-yl)-2-(1-methylimidazol-2-yl)-6-(1-methylpyrazol-4-yl)-5-phenylthieno[2,3-d]pyrimidine (PubChem CID 167390222) has the molecular formula C25H25N7OS and a molecular weight of 471.59 g/mol. Its IUPAC name is 4-(3-methoxypyrrolidin-1-yl)-2-(1-methylimidazol-2-yl)-6-(1-methylpyrazol-4-yl)-5-phenylthieno[2,3-d]pyrimidine.

Molecular Properties

Compound Name4-(3-methoxypyrrolidin-1-yl)-2-(1-methylimidazol-2-yl)-6-(1-methylpyrazol-4-yl)-5-phenylthieno[2,3-d]pyrimidine
PubChem CID167390222
Molecular FormulaC25H25N7OS
Molecular Weight471.59 g/mol
Exact Mass471.18
IUPAC Name4-(3-methoxypyrrolidin-1-yl)-2-(1-methylimidazol-2-yl)-6-(1-methylpyrazol-4-yl)-5-phenylthieno[2,3-d]pyrimidine
SMILESCOC1CCN(c2nc(-c3nccn3C)nc3sc(-c4cnn(C)c4)c(-c4ccccc4)c23)C1
InChIInChI=1S/C25H25N7OS/c1-30-12-10-26-24(30)22-28-23(32-11-9-18(15-32)33-3)20-19(16-7-5-4-6-8-16)21(34-25(20)29-22)17-13-27-31(2)14-17/h4-8,10,12-14,18H,9,11,15H2,1-3H3
InChIKeyJULKAXKAFRVWQI-UHFFFAOYSA-N
XLogP4.38
TPSA73.89 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500471.59
LogP ≤ 54.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 4-(3-methoxypyrrolidin-1-yl)-2-(1-methylimidazol-2-yl)-6-(1-methylpyrazol-4-yl)-5-phenylthieno[2,3-d]pyrimidine?
The IUPAC name of 4-(3-methoxypyrrolidin-1-yl)-2-(1-methylimidazol-2-yl)-6-(1-methylpyrazol-4-yl)-5-phenylthieno[2,3-d]pyrimidine (CID 167390222) is 4-(3-methoxypyrrolidin-1-yl)-2-(1-methylimidazol-2-yl)-6-(1-methylpyrazol-4-yl)-5-phenylthieno[2,3-d]pyrimidine.
What is the SMILES notation for 4-(3-methoxypyrrolidin-1-yl)-2-(1-methylimidazol-2-yl)-6-(1-methylpyrazol-4-yl)-5-phenylthieno[2,3-d]pyrimidine?
The canonical SMILES for 4-(3-methoxypyrrolidin-1-yl)-2-(1-methylimidazol-2-yl)-6-(1-methylpyrazol-4-yl)-5-phenylthieno[2,3-d]pyrimidine is COC1CCN(c2nc(-c3nccn3C)nc3sc(-c4cnn(C)c4)c(-c4ccccc4)c23)C1.
What is the InChIKey of 4-(3-methoxypyrrolidin-1-yl)-2-(1-methylimidazol-2-yl)-6-(1-methylpyrazol-4-yl)-5-phenylthieno[2,3-d]pyrimidine?
The InChIKey is JULKAXKAFRVWQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25N7OS/c1-30-12-10-26-24(30)22-28-23(32-11-9-18(15-32)33-3)20-19(16-7-5-4-6-8-16)21(34-25(20)29-22)17-13-27-31(2)14-17/h4-8,10,12-14,18H,9,11,15H2,1-3H3.
What are the key properties of 4-(3-methoxypyrrolidin-1-yl)-2-(1-methylimidazol-2-yl)-6-(1-methylpyrazol-4-yl)-5-phenylthieno[2,3-d]pyrimidine?
4-(3-methoxypyrrolidin-1-yl)-2-(1-methylimidazol-2-yl)-6-(1-methylpyrazol-4-yl)-5-phenylthieno[2,3-d]pyrimidine has a molecular weight of 471.59 g/mol, XLogP of 4.38, 5 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-methoxypyrrolidin-1-yl)-2-(1-methylimidazol-2-yl)-6-(1-methylpyrazol-4-yl)-5-phenylthieno[2,3-d]pyrimidine is sourced from PubChem (CID 167390222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).