4-[4-[6-(3-methylpyrazol-1-yl)pyrimidin-4-yl]piperazin-1-yl]thieno[3,2-c]pyridine

C19H19N7S — CID 166601898

IUPAC4-[4-[6-(3-methylpyrazol-1-yl)pyrimidin-4-yl]piperazin-1-yl]thieno[3,2-c]pyridine
SMILESCc1ccn(-c2cc(N3CCN(c4nccc5sccc45)CC3)ncn2)n1
InChIInChI=1S/C19H19N7S/c1-14-3-6-26(23-14)18-12-17(21-13-22-18)24-7-9-25(10-8-24)19-15-4-11-27-16(15)2-5-20-19/h2-6,11-13H,7-10H2,1H3
InChIKeyDFOLNAOPFXNNNW-UHFFFAOYSA-N
MW377.48 g/mol
LogP2.91
Rot. Bonds3

About 4-[4-[6-(3-methylpyrazol-1-yl)pyrimidin-4-yl]piperazin-1-yl]thieno[3,2-c]pyridine

4-[4-[6-(3-methylpyrazol-1-yl)pyrimidin-4-yl]piperazin-1-yl]thieno[3,2-c]pyridine (PubChem CID 166601898) has the molecular formula C19H19N7S and a molecular weight of 377.48 g/mol. Its IUPAC name is 4-[4-[6-(3-methylpyrazol-1-yl)pyrimidin-4-yl]piperazin-1-yl]thieno[3,2-c]pyridine.

Molecular Properties

Compound Name4-[4-[6-(3-methylpyrazol-1-yl)pyrimidin-4-yl]piperazin-1-yl]thieno[3,2-c]pyridine
PubChem CID166601898
Molecular FormulaC19H19N7S
Molecular Weight377.48 g/mol
Exact Mass377.14
IUPAC Name4-[4-[6-(3-methylpyrazol-1-yl)pyrimidin-4-yl]piperazin-1-yl]thieno[3,2-c]pyridine
SMILESCc1ccn(-c2cc(N3CCN(c4nccc5sccc45)CC3)ncn2)n1
InChIInChI=1S/C19H19N7S/c1-14-3-6-26(23-14)18-12-17(21-13-22-18)24-7-9-25(10-8-24)19-15-4-11-27-16(15)2-5-20-19/h2-6,11-13H,7-10H2,1H3
InChIKeyDFOLNAOPFXNNNW-UHFFFAOYSA-N
XLogP2.91
TPSA62.97 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.48
LogP ≤ 52.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

4-[4-[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]piperazin-1-yl]thieno[3,2-c]pyridine
CID 155976627
4-[6-(4-thieno[3,2-c]pyridin-4-ylpiperazin-1-yl)pyrimidin-4-yl]morpholine
CID 155976528
4-[4-(2-methyl-6-pyrrolidin-1-ylpyrimidin-4-yl)piperazin-1-yl]thieno[3,2-c]pyridine
CID 155976571
4-[4-(3-chloro-2-pyridinyl)piperazin-1-yl]-6-(3-methylpyrazol-1-yl)pyrimidine
CID 165433622
3-[4-[6-(3-methylpyrazol-1-yl)pyrimidin-4-yl]piperazin-1-yl]pyrazine-2-carbonitrile
CID 165434251
2-methyl-6-[4-[6-(3-methylpyrazol-1-yl)pyrimidin-4-yl]piperazin-1-yl]pyrazine
CID 166601576
4-[4-(5-bromo-3-fluoro-2-pyridinyl)piperazin-1-yl]-6-(3-methylpyrazol-1-yl)pyrimidine
CID 166601791
1-[4-[6-(3-methylpyrazol-1-yl)pyrimidin-4-yl]piperazin-1-yl]-3-(3-methylthiophen-2-yl)propan-1-one
CID 122344891
2,2-dimethyl-1-[4-[6-(3-methylpyrazol-1-yl)pyrimidin-4-yl]piperazin-1-yl]propan-1-one
CID 70704009
4-[4-[(2-methoxy-4-pyridinyl)methyl]piperazin-1-yl]-6-(3-methylpyrazol-1-yl)pyrimidine
CID 166605374
4-[4-(5-methoxypyrimidin-2-yl)piperazin-1-yl]thieno[3,2-c]pyridine
CID 171702458
4-(3-methylpyrazol-1-yl)-6-[4-[6-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]pyrimidine
CID 166601638

Frequently Asked Questions

What is the IUPAC name of 4-[4-[6-(3-methylpyrazol-1-yl)pyrimidin-4-yl]piperazin-1-yl]thieno[3,2-c]pyridine?
The IUPAC name of 4-[4-[6-(3-methylpyrazol-1-yl)pyrimidin-4-yl]piperazin-1-yl]thieno[3,2-c]pyridine (CID 166601898) is 4-[4-[6-(3-methylpyrazol-1-yl)pyrimidin-4-yl]piperazin-1-yl]thieno[3,2-c]pyridine.
What is the SMILES notation for 4-[4-[6-(3-methylpyrazol-1-yl)pyrimidin-4-yl]piperazin-1-yl]thieno[3,2-c]pyridine?
The canonical SMILES for 4-[4-[6-(3-methylpyrazol-1-yl)pyrimidin-4-yl]piperazin-1-yl]thieno[3,2-c]pyridine is Cc1ccn(-c2cc(N3CCN(c4nccc5sccc45)CC3)ncn2)n1.
What is the InChIKey of 4-[4-[6-(3-methylpyrazol-1-yl)pyrimidin-4-yl]piperazin-1-yl]thieno[3,2-c]pyridine?
The InChIKey is DFOLNAOPFXNNNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N7S/c1-14-3-6-26(23-14)18-12-17(21-13-22-18)24-7-9-25(10-8-24)19-15-4-11-27-16(15)2-5-20-19/h2-6,11-13H,7-10H2,1H3.
What are the key properties of 4-[4-[6-(3-methylpyrazol-1-yl)pyrimidin-4-yl]piperazin-1-yl]thieno[3,2-c]pyridine?
4-[4-[6-(3-methylpyrazol-1-yl)pyrimidin-4-yl]piperazin-1-yl]thieno[3,2-c]pyridine has a molecular weight of 377.48 g/mol, XLogP of 2.91, 3 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[6-(3-methylpyrazol-1-yl)pyrimidin-4-yl]piperazin-1-yl]thieno[3,2-c]pyridine is sourced from PubChem (CID 166601898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).