2-[4-(6-pyrazol-1-yl-2-pyridinyl)piperazin-1-yl]-[1,3]thiazolo[4,5-c]pyridine

C18H17N7S — CID 163357343

IUPAC2-[4-(6-pyrazol-1-yl-2-pyridinyl)piperazin-1-yl]-[1,3]thiazolo[4,5-c]pyridine
SMILESc1cc(N2CCN(c3nc4cnccc4s3)CC2)nc(-n2cccn2)c1
InChIInChI=1S/C18H17N7S/c1-3-16(22-17(4-1)25-8-2-6-20-25)23-9-11-24(12-10-23)18-21-14-13-19-7-5-15(14)26-18/h1-8,13H,9-12H2
InChIKeyLOPOLUWJBNOWJM-UHFFFAOYSA-N
MW363.45 g/mol
LogP2.60
Rot. Bonds3

About 2-[4-(6-pyrazol-1-yl-2-pyridinyl)piperazin-1-yl]-[1,3]thiazolo[4,5-c]pyridine

2-[4-(6-pyrazol-1-yl-2-pyridinyl)piperazin-1-yl]-[1,3]thiazolo[4,5-c]pyridine (PubChem CID 163357343) has the molecular formula C18H17N7S and a molecular weight of 363.45 g/mol. Its IUPAC name is 2-[4-(6-pyrazol-1-yl-2-pyridinyl)piperazin-1-yl]-[1,3]thiazolo[4,5-c]pyridine.

Molecular Properties

Compound Name2-[4-(6-pyrazol-1-yl-2-pyridinyl)piperazin-1-yl]-[1,3]thiazolo[4,5-c]pyridine
PubChem CID163357343
Molecular FormulaC18H17N7S
Molecular Weight363.45 g/mol
Exact Mass363.13
IUPAC Name2-[4-(6-pyrazol-1-yl-2-pyridinyl)piperazin-1-yl]-[1,3]thiazolo[4,5-c]pyridine
SMILESc1cc(N2CCN(c3nc4cnccc4s3)CC2)nc(-n2cccn2)c1
InChIInChI=1S/C18H17N7S/c1-3-16(22-17(4-1)25-8-2-6-20-25)23-9-11-24(12-10-23)18-21-14-13-19-7-5-15(14)26-18/h1-8,13H,9-12H2
InChIKeyLOPOLUWJBNOWJM-UHFFFAOYSA-N
XLogP2.60
TPSA62.97 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.45
LogP ≤ 52.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(6-pyrazol-1-yl-2-pyridinyl)piperazin-1-yl]-[1,3]thiazolo[4,5-c]pyridine?
The IUPAC name of 2-[4-(6-pyrazol-1-yl-2-pyridinyl)piperazin-1-yl]-[1,3]thiazolo[4,5-c]pyridine (CID 163357343) is 2-[4-(6-pyrazol-1-yl-2-pyridinyl)piperazin-1-yl]-[1,3]thiazolo[4,5-c]pyridine.
What is the SMILES notation for 2-[4-(6-pyrazol-1-yl-2-pyridinyl)piperazin-1-yl]-[1,3]thiazolo[4,5-c]pyridine?
The canonical SMILES for 2-[4-(6-pyrazol-1-yl-2-pyridinyl)piperazin-1-yl]-[1,3]thiazolo[4,5-c]pyridine is c1cc(N2CCN(c3nc4cnccc4s3)CC2)nc(-n2cccn2)c1.
What is the InChIKey of 2-[4-(6-pyrazol-1-yl-2-pyridinyl)piperazin-1-yl]-[1,3]thiazolo[4,5-c]pyridine?
The InChIKey is LOPOLUWJBNOWJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N7S/c1-3-16(22-17(4-1)25-8-2-6-20-25)23-9-11-24(12-10-23)18-21-14-13-19-7-5-15(14)26-18/h1-8,13H,9-12H2.
What are the key properties of 2-[4-(6-pyrazol-1-yl-2-pyridinyl)piperazin-1-yl]-[1,3]thiazolo[4,5-c]pyridine?
2-[4-(6-pyrazol-1-yl-2-pyridinyl)piperazin-1-yl]-[1,3]thiazolo[4,5-c]pyridine has a molecular weight of 363.45 g/mol, XLogP of 2.60, 3 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(6-pyrazol-1-yl-2-pyridinyl)piperazin-1-yl]-[1,3]thiazolo[4,5-c]pyridine is sourced from PubChem (CID 163357343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).