[1-[2-(1-methylimidazol-2-yl)-6-(1-methylpyrazol-4-yl)-5-phenylthieno[2,3-d]pyrimidin-4-yl]pyrrolidin-3-yl]methanol

C25H25N7OS — CID 167390214

IUPAC[1-[2-(1-methylimidazol-2-yl)-6-(1-methylpyrazol-4-yl)-5-phenylthieno[2,3-d]pyrimidin-4-yl]pyrrolidin-3-yl]methanol
SMILESCn1cc(-c2sc3nc(-c4nccn4C)nc(N4CCC(CO)C4)c3c2-c2ccccc2)cn1
InChIInChI=1S/C25H25N7OS/c1-30-11-9-26-24(30)22-28-23(32-10-8-16(13-32)15-33)20-19(17-6-4-3-5-7-17)21(34-25(20)29-22)18-12-27-31(2)14-18/h3-7,9,11-12,14,16,33H,8,10,13,15H2,1-2H3
InChIKeyAJZBSZWAEOVPLD-UHFFFAOYSA-N
MW471.59 g/mol
LogP3.98
Rot. Bonds5

About [1-[2-(1-methylimidazol-2-yl)-6-(1-methylpyrazol-4-yl)-5-phenylthieno[2,3-d]pyrimidin-4-yl]pyrrolidin-3-yl]methanol

[1-[2-(1-methylimidazol-2-yl)-6-(1-methylpyrazol-4-yl)-5-phenylthieno[2,3-d]pyrimidin-4-yl]pyrrolidin-3-yl]methanol (PubChem CID 167390214) has the molecular formula C25H25N7OS and a molecular weight of 471.59 g/mol. Its IUPAC name is [1-[2-(1-methylimidazol-2-yl)-6-(1-methylpyrazol-4-yl)-5-phenylthieno[2,3-d]pyrimidin-4-yl]pyrrolidin-3-yl]methanol.

Molecular Properties

Compound Name[1-[2-(1-methylimidazol-2-yl)-6-(1-methylpyrazol-4-yl)-5-phenylthieno[2,3-d]pyrimidin-4-yl]pyrrolidin-3-yl]methanol
PubChem CID167390214
Molecular FormulaC25H25N7OS
Molecular Weight471.59 g/mol
Exact Mass471.18
IUPAC Name[1-[2-(1-methylimidazol-2-yl)-6-(1-methylpyrazol-4-yl)-5-phenylthieno[2,3-d]pyrimidin-4-yl]pyrrolidin-3-yl]methanol
SMILESCn1cc(-c2sc3nc(-c4nccn4C)nc(N4CCC(CO)C4)c3c2-c2ccccc2)cn1
InChIInChI=1S/C25H25N7OS/c1-30-11-9-26-24(30)22-28-23(32-10-8-16(13-32)15-33)20-19(17-6-4-3-5-7-17)21(34-25(20)29-22)18-12-27-31(2)14-18/h3-7,9,11-12,14,16,33H,8,10,13,15H2,1-2H3
InChIKeyAJZBSZWAEOVPLD-UHFFFAOYSA-N
XLogP3.98
TPSA84.89 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500471.59
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of [1-[2-(1-methylimidazol-2-yl)-6-(1-methylpyrazol-4-yl)-5-phenylthieno[2,3-d]pyrimidin-4-yl]pyrrolidin-3-yl]methanol?
The IUPAC name of [1-[2-(1-methylimidazol-2-yl)-6-(1-methylpyrazol-4-yl)-5-phenylthieno[2,3-d]pyrimidin-4-yl]pyrrolidin-3-yl]methanol (CID 167390214) is [1-[2-(1-methylimidazol-2-yl)-6-(1-methylpyrazol-4-yl)-5-phenylthieno[2,3-d]pyrimidin-4-yl]pyrrolidin-3-yl]methanol.
What is the SMILES notation for [1-[2-(1-methylimidazol-2-yl)-6-(1-methylpyrazol-4-yl)-5-phenylthieno[2,3-d]pyrimidin-4-yl]pyrrolidin-3-yl]methanol?
The canonical SMILES for [1-[2-(1-methylimidazol-2-yl)-6-(1-methylpyrazol-4-yl)-5-phenylthieno[2,3-d]pyrimidin-4-yl]pyrrolidin-3-yl]methanol is Cn1cc(-c2sc3nc(-c4nccn4C)nc(N4CCC(CO)C4)c3c2-c2ccccc2)cn1.
What is the InChIKey of [1-[2-(1-methylimidazol-2-yl)-6-(1-methylpyrazol-4-yl)-5-phenylthieno[2,3-d]pyrimidin-4-yl]pyrrolidin-3-yl]methanol?
The InChIKey is AJZBSZWAEOVPLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25N7OS/c1-30-11-9-26-24(30)22-28-23(32-10-8-16(13-32)15-33)20-19(17-6-4-3-5-7-17)21(34-25(20)29-22)18-12-27-31(2)14-18/h3-7,9,11-12,14,16,33H,8,10,13,15H2,1-2H3.
What are the key properties of [1-[2-(1-methylimidazol-2-yl)-6-(1-methylpyrazol-4-yl)-5-phenylthieno[2,3-d]pyrimidin-4-yl]pyrrolidin-3-yl]methanol?
[1-[2-(1-methylimidazol-2-yl)-6-(1-methylpyrazol-4-yl)-5-phenylthieno[2,3-d]pyrimidin-4-yl]pyrrolidin-3-yl]methanol has a molecular weight of 471.59 g/mol, XLogP of 3.98, 5 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[2-(1-methylimidazol-2-yl)-6-(1-methylpyrazol-4-yl)-5-phenylthieno[2,3-d]pyrimidin-4-yl]pyrrolidin-3-yl]methanol is sourced from PubChem (CID 167390214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).