4-[4-[1-(pyridin-2-ylmethyl)imidazol-2-yl]piperidin-1-yl]thieno[3,2-d]pyrimidine

C20H20N6S — CID 72867565

IUPAC4-[4-[1-(pyridin-2-ylmethyl)imidazol-2-yl]piperidin-1-yl]thieno[3,2-d]pyrimidine
SMILESc1ccc(Cn2ccnc2C2CCN(c3ncnc4ccsc34)CC2)nc1
InChIInChI=1S/C20H20N6S/c1-2-7-21-16(3-1)13-26-11-8-22-19(26)15-4-9-25(10-5-15)20-18-17(6-12-27-18)23-14-24-20/h1-3,6-8,11-12,14-15H,4-5,9-10,13H2
InChIKeyDVDIXHXRDMNGQA-UHFFFAOYSA-N
MW376.49 g/mol
LogP3.72
Rot. Bonds4

About 4-[4-[1-(pyridin-2-ylmethyl)imidazol-2-yl]piperidin-1-yl]thieno[3,2-d]pyrimidine

4-[4-[1-(pyridin-2-ylmethyl)imidazol-2-yl]piperidin-1-yl]thieno[3,2-d]pyrimidine (PubChem CID 72867565) has the molecular formula C20H20N6S and a molecular weight of 376.49 g/mol. Its IUPAC name is 4-[4-[1-(pyridin-2-ylmethyl)imidazol-2-yl]piperidin-1-yl]thieno[3,2-d]pyrimidine.

Molecular Properties

Compound Name4-[4-[1-(pyridin-2-ylmethyl)imidazol-2-yl]piperidin-1-yl]thieno[3,2-d]pyrimidine
PubChem CID72867565
Molecular FormulaC20H20N6S
Molecular Weight376.49 g/mol
Exact Mass376.15
IUPAC Name4-[4-[1-(pyridin-2-ylmethyl)imidazol-2-yl]piperidin-1-yl]thieno[3,2-d]pyrimidine
SMILESc1ccc(Cn2ccnc2C2CCN(c3ncnc4ccsc34)CC2)nc1
InChIInChI=1S/C20H20N6S/c1-2-7-21-16(3-1)13-26-11-8-22-19(26)15-4-9-25(10-5-15)20-18-17(6-12-27-18)23-14-24-20/h1-3,6-8,11-12,14-15H,4-5,9-10,13H2
InChIKeyDVDIXHXRDMNGQA-UHFFFAOYSA-N
XLogP3.72
TPSA59.73 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.49
LogP ≤ 53.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 4-[4-[1-(pyridin-2-ylmethyl)imidazol-2-yl]piperidin-1-yl]thieno[3,2-d]pyrimidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4,6-dimethyl-2-[4-[1-(pyridin-2-ylmethyl)imidazol-2-yl]piperidin-1-yl]pyridine-3-carbonitrile
CID 72846547
4,5-dimethyl-6-[3-[1-(pyridin-2-ylmethyl)imidazol-2-yl]piperidin-1-yl]pyrimidine
CID 72872204
4-[4-(1H-benzimidazol-2-yl)piperidin-1-yl]thieno[3,2-d]pyrimidine
CID 24590020
6-[(3R)-3-[1-(pyridin-2-ylmethyl)imidazol-2-yl]piperidin-1-yl]pyrimidin-4-amine
CID 97200300
4-[4-(oxolan-2-yl)piperidin-1-yl]thieno[3,2-d]pyrimidine
CID 136534406
4-[4-(1-methylpyrazol-4-yl)piperidin-1-yl]thieno[3,2-d]pyrimidine
CID 86773022
1-[4-[1-(pyridin-2-ylmethyl)imidazol-2-yl]piperidin-1-yl]-2-pyrrolidin-1-ylpropan-1-one
CID 72911781
2-[[2-[(3S)-piperidin-3-yl]imidazol-1-yl]methyl]pyridine
CID 97357420
N-[(1-thieno[3,2-d]pyrimidin-4-ylpiperidin-4-yl)methyl]cyclopropanamine
CID 62593365
[(3R)-1-methylpiperidin-3-yl]-[4-[1-(pyridin-2-ylmethyl)imidazol-2-yl]piperidin-1-yl]methanone
CID 97122863
2-[[2-[(3S)-1-thiophen-2-ylsulfonylpiperidin-3-yl]imidazol-1-yl]methyl]pyridine
CID 97277241
(1-cyclopropylpyrrol-2-yl)-[4-[1-(pyridin-2-ylmethyl)imidazol-2-yl]piperidin-1-yl]methanone
CID 72841949

Frequently Asked Questions

What is the IUPAC name of 4-[4-[1-(pyridin-2-ylmethyl)imidazol-2-yl]piperidin-1-yl]thieno[3,2-d]pyrimidine?
The IUPAC name of 4-[4-[1-(pyridin-2-ylmethyl)imidazol-2-yl]piperidin-1-yl]thieno[3,2-d]pyrimidine (CID 72867565) is 4-[4-[1-(pyridin-2-ylmethyl)imidazol-2-yl]piperidin-1-yl]thieno[3,2-d]pyrimidine.
What is the SMILES notation for 4-[4-[1-(pyridin-2-ylmethyl)imidazol-2-yl]piperidin-1-yl]thieno[3,2-d]pyrimidine?
The canonical SMILES for 4-[4-[1-(pyridin-2-ylmethyl)imidazol-2-yl]piperidin-1-yl]thieno[3,2-d]pyrimidine is c1ccc(Cn2ccnc2C2CCN(c3ncnc4ccsc34)CC2)nc1.
What is the InChIKey of 4-[4-[1-(pyridin-2-ylmethyl)imidazol-2-yl]piperidin-1-yl]thieno[3,2-d]pyrimidine?
The InChIKey is DVDIXHXRDMNGQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N6S/c1-2-7-21-16(3-1)13-26-11-8-22-19(26)15-4-9-25(10-5-15)20-18-17(6-12-27-18)23-14-24-20/h1-3,6-8,11-12,14-15H,4-5,9-10,13H2.
What are the key properties of 4-[4-[1-(pyridin-2-ylmethyl)imidazol-2-yl]piperidin-1-yl]thieno[3,2-d]pyrimidine?
4-[4-[1-(pyridin-2-ylmethyl)imidazol-2-yl]piperidin-1-yl]thieno[3,2-d]pyrimidine has a molecular weight of 376.49 g/mol, XLogP of 3.72, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[1-(pyridin-2-ylmethyl)imidazol-2-yl]piperidin-1-yl]thieno[3,2-d]pyrimidine is sourced from PubChem (CID 72867565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).