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

C25H25N7OS — CID 167390309

IUPAC4-(3-methoxypyrrolidin-1-yl)-2-(1-methylimidazol-2-yl)-6-(2-methylpyrazol-3-yl)-5-phenylthieno[2,3-d]pyrimidine
SMILESCOC1CCN(c2nc(-c3nccn3C)nc3sc(-c4ccnn4C)c(-c4ccccc4)c23)C1
InChIInChI=1S/C25H25N7OS/c1-30-14-12-26-24(30)22-28-23(32-13-10-17(15-32)33-3)20-19(16-7-5-4-6-8-16)21(34-25(20)29-22)18-9-11-27-31(18)2/h4-9,11-12,14,17H,10,13,15H2,1-3H3
InChIKeyBKQQMVOHEQWGLZ-UHFFFAOYSA-N
MW471.59 g/mol
LogP4.38
Rot. Bonds5

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

4-(3-methoxypyrrolidin-1-yl)-2-(1-methylimidazol-2-yl)-6-(2-methylpyrazol-3-yl)-5-phenylthieno[2,3-d]pyrimidine (PubChem CID 167390309) 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-(2-methylpyrazol-3-yl)-5-phenylthieno[2,3-d]pyrimidine.

Molecular Properties

Compound Name4-(3-methoxypyrrolidin-1-yl)-2-(1-methylimidazol-2-yl)-6-(2-methylpyrazol-3-yl)-5-phenylthieno[2,3-d]pyrimidine
PubChem CID167390309
Molecular FormulaC25H25N7OS
Molecular Weight471.59 g/mol
Exact Mass471.18
IUPAC Name4-(3-methoxypyrrolidin-1-yl)-2-(1-methylimidazol-2-yl)-6-(2-methylpyrazol-3-yl)-5-phenylthieno[2,3-d]pyrimidine
SMILESCOC1CCN(c2nc(-c3nccn3C)nc3sc(-c4ccnn4C)c(-c4ccccc4)c23)C1
InChIInChI=1S/C25H25N7OS/c1-30-14-12-26-24(30)22-28-23(32-13-10-17(15-32)33-3)20-19(16-7-5-4-6-8-16)21(34-25(20)29-22)18-9-11-27-31(18)2/h4-9,11-12,14,17H,10,13,15H2,1-3H3
InChIKeyBKQQMVOHEQWGLZ-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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Related Compounds

7-(1-Methylpyrazol-4-yl)-3-(5-pyridin-4-ylthiophen-2-yl)imidazo[1,2-a]pyridine
CID 164616134
3-[5-(4-Fluorophenyl)thiophen-2-yl]-7-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyridine
CID 164616414
7-(1-Methylpyrazol-4-yl)-3-[5-(1-methylpyrazol-4-yl)thiophen-2-yl]imidazo[1,2-a]pyridine
CID 164620635
7-(1-Methylpyrazol-4-yl)-3-(5-pyridin-3-ylthiophen-2-yl)imidazo[1,2-a]pyridine
CID 164625241
3-[5-(3-Fluorophenyl)thiophen-2-yl]-7-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyridine
CID 164627013
2-(1,3-dimethyl-1H-pyrazol-5-yl)-8,9,10,11-tetrahydro[1]benzothieno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidine
CID 866817
3-[5-(4-Fluorophenyl)thiophen-2-yl]-6-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyridine
CID 164622607
6-(1-Methylpyrazol-4-yl)-3-[5-(1-methylpyrazol-4-yl)thiophen-2-yl]imidazo[1,2-a]pyridine
CID 164628749
2-(morpholin-4-ylmethyl)-5-phenyl-N-[(1-phenylpyrazol-4-yl)methyl]thieno[2,3-d]pyrimidin-4-amine
CID 16605806
8-Methyl-3-[5-(1-methylpyrazol-4-yl)thiophen-2-yl]imidazo[1,2-a]pyridine
CID 164610901
6-(1-Benzothiophen-2-yl)-3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazine
CID 117769933
4-(1-Ethyl-2-methylbenzimidazol-5-yl)-10-thia-3,5,6,8-tetrazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),2,4,7,11(16)-pentaene
CID 8026341

Frequently Asked Questions

What is the IUPAC name of 4-(3-methoxypyrrolidin-1-yl)-2-(1-methylimidazol-2-yl)-6-(2-methylpyrazol-3-yl)-5-phenylthieno[2,3-d]pyrimidine?
The IUPAC name of 4-(3-methoxypyrrolidin-1-yl)-2-(1-methylimidazol-2-yl)-6-(2-methylpyrazol-3-yl)-5-phenylthieno[2,3-d]pyrimidine (CID 167390309) is 4-(3-methoxypyrrolidin-1-yl)-2-(1-methylimidazol-2-yl)-6-(2-methylpyrazol-3-yl)-5-phenylthieno[2,3-d]pyrimidine.
What is the SMILES notation for 4-(3-methoxypyrrolidin-1-yl)-2-(1-methylimidazol-2-yl)-6-(2-methylpyrazol-3-yl)-5-phenylthieno[2,3-d]pyrimidine?
The canonical SMILES for 4-(3-methoxypyrrolidin-1-yl)-2-(1-methylimidazol-2-yl)-6-(2-methylpyrazol-3-yl)-5-phenylthieno[2,3-d]pyrimidine is COC1CCN(c2nc(-c3nccn3C)nc3sc(-c4ccnn4C)c(-c4ccccc4)c23)C1.
What is the InChIKey of 4-(3-methoxypyrrolidin-1-yl)-2-(1-methylimidazol-2-yl)-6-(2-methylpyrazol-3-yl)-5-phenylthieno[2,3-d]pyrimidine?
The InChIKey is BKQQMVOHEQWGLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25N7OS/c1-30-14-12-26-24(30)22-28-23(32-13-10-17(15-32)33-3)20-19(16-7-5-4-6-8-16)21(34-25(20)29-22)18-9-11-27-31(18)2/h4-9,11-12,14,17H,10,13,15H2,1-3H3.
What are the key properties of 4-(3-methoxypyrrolidin-1-yl)-2-(1-methylimidazol-2-yl)-6-(2-methylpyrazol-3-yl)-5-phenylthieno[2,3-d]pyrimidine?
4-(3-methoxypyrrolidin-1-yl)-2-(1-methylimidazol-2-yl)-6-(2-methylpyrazol-3-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-(2-methylpyrazol-3-yl)-5-phenylthieno[2,3-d]pyrimidine is sourced from PubChem (CID 167390309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).