6-[4-(3-fluoropropyl)piperidin-1-yl]-2-(6-pyrrolidin-1-yl-3-pyridinyl)-[1,3]thiazolo[5,4-c]pyridine

C23H28FN5S — CID 166882964

IUPAC6-[4-(3-fluoropropyl)piperidin-1-yl]-2-(6-pyrrolidin-1-yl-3-pyridinyl)-[1,3]thiazolo[5,4-c]pyridine
SMILESFCCCC1CCN(c2cc3nc(-c4ccc(N5CCCC5)nc4)sc3cn2)CC1
InChIInChI=1S/C23H28FN5S/c24-9-3-4-17-7-12-29(13-8-17)22-14-19-20(16-26-22)30-23(27-19)18-5-6-21(25-15-18)28-10-1-2-11-28/h5-6,14-17H,1-4,7-13H2
InChIKeyBKKKEVIKXTYBDJ-UHFFFAOYSA-N
MW425.58 g/mol
LogP5.32
Rot. Bonds6

About 6-[4-(3-fluoropropyl)piperidin-1-yl]-2-(6-pyrrolidin-1-yl-3-pyridinyl)-[1,3]thiazolo[5,4-c]pyridine

6-[4-(3-fluoropropyl)piperidin-1-yl]-2-(6-pyrrolidin-1-yl-3-pyridinyl)-[1,3]thiazolo[5,4-c]pyridine (PubChem CID 166882964) has the molecular formula C23H28FN5S and a molecular weight of 425.58 g/mol. Its IUPAC name is 6-[4-(3-fluoropropyl)piperidin-1-yl]-2-(6-pyrrolidin-1-yl-3-pyridinyl)-[1,3]thiazolo[5,4-c]pyridine.

Molecular Properties

Compound Name6-[4-(3-fluoropropyl)piperidin-1-yl]-2-(6-pyrrolidin-1-yl-3-pyridinyl)-[1,3]thiazolo[5,4-c]pyridine
PubChem CID166882964
Molecular FormulaC23H28FN5S
Molecular Weight425.58 g/mol
Exact Mass425.20
IUPAC Name6-[4-(3-fluoropropyl)piperidin-1-yl]-2-(6-pyrrolidin-1-yl-3-pyridinyl)-[1,3]thiazolo[5,4-c]pyridine
SMILESFCCCC1CCN(c2cc3nc(-c4ccc(N5CCCC5)nc4)sc3cn2)CC1
InChIInChI=1S/C23H28FN5S/c24-9-3-4-17-7-12-29(13-8-17)22-14-19-20(16-26-22)30-23(27-19)18-5-6-21(25-15-18)28-10-1-2-11-28/h5-6,14-17H,1-4,7-13H2
InChIKeyBKKKEVIKXTYBDJ-UHFFFAOYSA-N
XLogP5.32
TPSA45.15 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500425.58
LogP ≤ 55.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-[4-(3-fluoropropyl)piperidin-1-yl]-2-(6-pyrrolidin-1-yl-3-pyridinyl)-[1,3]thiazolo[5,4-c]pyridine?
The IUPAC name of 6-[4-(3-fluoropropyl)piperidin-1-yl]-2-(6-pyrrolidin-1-yl-3-pyridinyl)-[1,3]thiazolo[5,4-c]pyridine (CID 166882964) is 6-[4-(3-fluoropropyl)piperidin-1-yl]-2-(6-pyrrolidin-1-yl-3-pyridinyl)-[1,3]thiazolo[5,4-c]pyridine.
What is the SMILES notation for 6-[4-(3-fluoropropyl)piperidin-1-yl]-2-(6-pyrrolidin-1-yl-3-pyridinyl)-[1,3]thiazolo[5,4-c]pyridine?
The canonical SMILES for 6-[4-(3-fluoropropyl)piperidin-1-yl]-2-(6-pyrrolidin-1-yl-3-pyridinyl)-[1,3]thiazolo[5,4-c]pyridine is FCCCC1CCN(c2cc3nc(-c4ccc(N5CCCC5)nc4)sc3cn2)CC1.
What is the InChIKey of 6-[4-(3-fluoropropyl)piperidin-1-yl]-2-(6-pyrrolidin-1-yl-3-pyridinyl)-[1,3]thiazolo[5,4-c]pyridine?
The InChIKey is BKKKEVIKXTYBDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28FN5S/c24-9-3-4-17-7-12-29(13-8-17)22-14-19-20(16-26-22)30-23(27-19)18-5-6-21(25-15-18)28-10-1-2-11-28/h5-6,14-17H,1-4,7-13H2.
What are the key properties of 6-[4-(3-fluoropropyl)piperidin-1-yl]-2-(6-pyrrolidin-1-yl-3-pyridinyl)-[1,3]thiazolo[5,4-c]pyridine?
6-[4-(3-fluoropropyl)piperidin-1-yl]-2-(6-pyrrolidin-1-yl-3-pyridinyl)-[1,3]thiazolo[5,4-c]pyridine has a molecular weight of 425.58 g/mol, XLogP of 5.32, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-(3-fluoropropyl)piperidin-1-yl]-2-(6-pyrrolidin-1-yl-3-pyridinyl)-[1,3]thiazolo[5,4-c]pyridine is sourced from PubChem (CID 166882964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).