2-[4-(4,5,6,7-tetrahydro-1H-indazol-3-ylmethyl)piperazin-1-yl]-[1,3]thiazolo[4,5-c]pyridine

C18H22N6S — CID 171334806

IUPAC2-[4-(4,5,6,7-tetrahydro-1H-indazol-3-ylmethyl)piperazin-1-yl]-[1,3]thiazolo[4,5-c]pyridine
SMILESc1cc2sc(N3CCN(Cc4n[nH]c5c4CCCC5)CC3)nc2cn1
InChIInChI=1S/C18H22N6S/c1-2-4-14-13(3-1)16(22-21-14)12-23-7-9-24(10-8-23)18-20-15-11-19-6-5-17(15)25-18/h5-6,11H,1-4,7-10,12H2,(H,21,22)
InChIKeyISUKHOGYGIMGAV-UHFFFAOYSA-N
MW354.48 g/mol
LogP2.62
Rot. Bonds3

About 2-[4-(4,5,6,7-tetrahydro-1H-indazol-3-ylmethyl)piperazin-1-yl]-[1,3]thiazolo[4,5-c]pyridine

2-[4-(4,5,6,7-tetrahydro-1H-indazol-3-ylmethyl)piperazin-1-yl]-[1,3]thiazolo[4,5-c]pyridine (PubChem CID 171334806) has the molecular formula C18H22N6S and a molecular weight of 354.48 g/mol. Its IUPAC name is 2-[4-(4,5,6,7-tetrahydro-1H-indazol-3-ylmethyl)piperazin-1-yl]-[1,3]thiazolo[4,5-c]pyridine.

Molecular Properties

Compound Name2-[4-(4,5,6,7-tetrahydro-1H-indazol-3-ylmethyl)piperazin-1-yl]-[1,3]thiazolo[4,5-c]pyridine
PubChem CID171334806
Molecular FormulaC18H22N6S
Molecular Weight354.48 g/mol
Exact Mass354.16
IUPAC Name2-[4-(4,5,6,7-tetrahydro-1H-indazol-3-ylmethyl)piperazin-1-yl]-[1,3]thiazolo[4,5-c]pyridine
SMILESc1cc2sc(N3CCN(Cc4n[nH]c5c4CCCC5)CC3)nc2cn1
InChIInChI=1S/C18H22N6S/c1-2-4-14-13(3-1)16(22-21-14)12-23-7-9-24(10-8-23)18-20-15-11-19-6-5-17(15)25-18/h5-6,11H,1-4,7-10,12H2,(H,21,22)
InChIKeyISUKHOGYGIMGAV-UHFFFAOYSA-N
XLogP2.62
TPSA60.94 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.48
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(4,5,6,7-tetrahydro-1H-indazol-3-ylmethyl)piperazin-1-yl]-[1,3]thiazolo[4,5-c]pyridine?
The IUPAC name of 2-[4-(4,5,6,7-tetrahydro-1H-indazol-3-ylmethyl)piperazin-1-yl]-[1,3]thiazolo[4,5-c]pyridine (CID 171334806) is 2-[4-(4,5,6,7-tetrahydro-1H-indazol-3-ylmethyl)piperazin-1-yl]-[1,3]thiazolo[4,5-c]pyridine.
What is the SMILES notation for 2-[4-(4,5,6,7-tetrahydro-1H-indazol-3-ylmethyl)piperazin-1-yl]-[1,3]thiazolo[4,5-c]pyridine?
The canonical SMILES for 2-[4-(4,5,6,7-tetrahydro-1H-indazol-3-ylmethyl)piperazin-1-yl]-[1,3]thiazolo[4,5-c]pyridine is c1cc2sc(N3CCN(Cc4n[nH]c5c4CCCC5)CC3)nc2cn1.
What is the InChIKey of 2-[4-(4,5,6,7-tetrahydro-1H-indazol-3-ylmethyl)piperazin-1-yl]-[1,3]thiazolo[4,5-c]pyridine?
The InChIKey is ISUKHOGYGIMGAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N6S/c1-2-4-14-13(3-1)16(22-21-14)12-23-7-9-24(10-8-23)18-20-15-11-19-6-5-17(15)25-18/h5-6,11H,1-4,7-10,12H2,(H,21,22).
What are the key properties of 2-[4-(4,5,6,7-tetrahydro-1H-indazol-3-ylmethyl)piperazin-1-yl]-[1,3]thiazolo[4,5-c]pyridine?
2-[4-(4,5,6,7-tetrahydro-1H-indazol-3-ylmethyl)piperazin-1-yl]-[1,3]thiazolo[4,5-c]pyridine has a molecular weight of 354.48 g/mol, XLogP of 2.62, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(4,5,6,7-tetrahydro-1H-indazol-3-ylmethyl)piperazin-1-yl]-[1,3]thiazolo[4,5-c]pyridine is sourced from PubChem (CID 171334806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).