4-[4-(2-methyl-6-pyrrolidin-1-ylpyrimidin-4-yl)piperazin-1-yl]thieno[3,2-c]pyridine

C20H24N6S — CID 155976571

IUPAC4-[4-(2-methyl-6-pyrrolidin-1-ylpyrimidin-4-yl)piperazin-1-yl]thieno[3,2-c]pyridine
SMILESCc1nc(N2CCCC2)cc(N2CCN(c3nccc4sccc34)CC2)n1
InChIInChI=1S/C20H24N6S/c1-15-22-18(24-7-2-3-8-24)14-19(23-15)25-9-11-26(12-10-25)20-16-5-13-27-17(16)4-6-21-20/h4-6,13-14H,2-3,7-12H2,1H3
InChIKeyRLNSAVAWRQUDLB-UHFFFAOYSA-N
MW380.52 g/mol
LogP3.32
Rot. Bonds3

About 4-[4-(2-methyl-6-pyrrolidin-1-ylpyrimidin-4-yl)piperazin-1-yl]thieno[3,2-c]pyridine

4-[4-(2-methyl-6-pyrrolidin-1-ylpyrimidin-4-yl)piperazin-1-yl]thieno[3,2-c]pyridine (PubChem CID 155976571) has the molecular formula C20H24N6S and a molecular weight of 380.52 g/mol. Its IUPAC name is 4-[4-(2-methyl-6-pyrrolidin-1-ylpyrimidin-4-yl)piperazin-1-yl]thieno[3,2-c]pyridine.

Molecular Properties

Compound Name4-[4-(2-methyl-6-pyrrolidin-1-ylpyrimidin-4-yl)piperazin-1-yl]thieno[3,2-c]pyridine
PubChem CID155976571
Molecular FormulaC20H24N6S
Molecular Weight380.52 g/mol
Exact Mass380.18
IUPAC Name4-[4-(2-methyl-6-pyrrolidin-1-ylpyrimidin-4-yl)piperazin-1-yl]thieno[3,2-c]pyridine
SMILESCc1nc(N2CCCC2)cc(N2CCN(c3nccc4sccc34)CC2)n1
InChIInChI=1S/C20H24N6S/c1-15-22-18(24-7-2-3-8-24)14-19(23-15)25-9-11-26(12-10-25)20-16-5-13-27-17(16)4-6-21-20/h4-6,13-14H,2-3,7-12H2,1H3
InChIKeyRLNSAVAWRQUDLB-UHFFFAOYSA-N
XLogP3.32
TPSA48.39 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.52
LogP ≤ 53.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-[4-(2-methyl-6-pyrrolidin-1-ylpyrimidin-4-yl)piperazin-1-yl]thieno[3,2-c]pyridine?
The IUPAC name of 4-[4-(2-methyl-6-pyrrolidin-1-ylpyrimidin-4-yl)piperazin-1-yl]thieno[3,2-c]pyridine (CID 155976571) is 4-[4-(2-methyl-6-pyrrolidin-1-ylpyrimidin-4-yl)piperazin-1-yl]thieno[3,2-c]pyridine.
What is the SMILES notation for 4-[4-(2-methyl-6-pyrrolidin-1-ylpyrimidin-4-yl)piperazin-1-yl]thieno[3,2-c]pyridine?
The canonical SMILES for 4-[4-(2-methyl-6-pyrrolidin-1-ylpyrimidin-4-yl)piperazin-1-yl]thieno[3,2-c]pyridine is Cc1nc(N2CCCC2)cc(N2CCN(c3nccc4sccc34)CC2)n1.
What is the InChIKey of 4-[4-(2-methyl-6-pyrrolidin-1-ylpyrimidin-4-yl)piperazin-1-yl]thieno[3,2-c]pyridine?
The InChIKey is RLNSAVAWRQUDLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N6S/c1-15-22-18(24-7-2-3-8-24)14-19(23-15)25-9-11-26(12-10-25)20-16-5-13-27-17(16)4-6-21-20/h4-6,13-14H,2-3,7-12H2,1H3.
What are the key properties of 4-[4-(2-methyl-6-pyrrolidin-1-ylpyrimidin-4-yl)piperazin-1-yl]thieno[3,2-c]pyridine?
4-[4-(2-methyl-6-pyrrolidin-1-ylpyrimidin-4-yl)piperazin-1-yl]thieno[3,2-c]pyridine has a molecular weight of 380.52 g/mol, XLogP of 3.32, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(2-methyl-6-pyrrolidin-1-ylpyrimidin-4-yl)piperazin-1-yl]thieno[3,2-c]pyridine is sourced from PubChem (CID 155976571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).