[1-(5-pyridin-4-yl-[1,3]thiazolo[5,4-b]pyridin-2-yl)piperidin-4-yl]-pyrrolidin-1-ylmethanone

C21H23N5OS — CID 53187371

IUPAC[1-(5-pyridin-4-yl-[1,3]thiazolo[5,4-b]pyridin-2-yl)piperidin-4-yl]-pyrrolidin-1-ylmethanone
SMILESO=C(C1CCN(c2nc3ccc(-c4ccncc4)nc3s2)CC1)N1CCCC1
InChIInChI=1S/C21H23N5OS/c27-20(25-11-1-2-12-25)16-7-13-26(14-8-16)21-24-18-4-3-17(23-19(18)28-21)15-5-9-22-10-6-15/h3-6,9-10,16H,1-2,7-8,11-14H2
InChIKeySWRYAOPRYUGOMK-UHFFFAOYSA-N
MW393.52 g/mol
LogP3.59
Rot. Bonds3

About [1-(5-pyridin-4-yl-[1,3]thiazolo[5,4-b]pyridin-2-yl)piperidin-4-yl]-pyrrolidin-1-ylmethanone

[1-(5-pyridin-4-yl-[1,3]thiazolo[5,4-b]pyridin-2-yl)piperidin-4-yl]-pyrrolidin-1-ylmethanone (PubChem CID 53187371) has the molecular formula C21H23N5OS and a molecular weight of 393.52 g/mol. Its IUPAC name is [1-(5-pyridin-4-yl-[1,3]thiazolo[5,4-b]pyridin-2-yl)piperidin-4-yl]-pyrrolidin-1-ylmethanone.

Molecular Properties

Compound Name[1-(5-pyridin-4-yl-[1,3]thiazolo[5,4-b]pyridin-2-yl)piperidin-4-yl]-pyrrolidin-1-ylmethanone
PubChem CID53187371
Molecular FormulaC21H23N5OS
Molecular Weight393.52 g/mol
Exact Mass393.16
IUPAC Name[1-(5-pyridin-4-yl-[1,3]thiazolo[5,4-b]pyridin-2-yl)piperidin-4-yl]-pyrrolidin-1-ylmethanone
SMILESO=C(C1CCN(c2nc3ccc(-c4ccncc4)nc3s2)CC1)N1CCCC1
InChIInChI=1S/C21H23N5OS/c27-20(25-11-1-2-12-25)16-7-13-26(14-8-16)21-24-18-4-3-17(23-19(18)28-21)15-5-9-22-10-6-15/h3-6,9-10,16H,1-2,7-8,11-14H2
InChIKeySWRYAOPRYUGOMK-UHFFFAOYSA-N
XLogP3.59
TPSA62.22 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.52
LogP ≤ 53.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [1-(5-pyridin-4-yl-[1,3]thiazolo[5,4-b]pyridin-2-yl)piperidin-4-yl]-pyrrolidin-1-ylmethanone?
The IUPAC name of [1-(5-pyridin-4-yl-[1,3]thiazolo[5,4-b]pyridin-2-yl)piperidin-4-yl]-pyrrolidin-1-ylmethanone (CID 53187371) is [1-(5-pyridin-4-yl-[1,3]thiazolo[5,4-b]pyridin-2-yl)piperidin-4-yl]-pyrrolidin-1-ylmethanone.
What is the SMILES notation for [1-(5-pyridin-4-yl-[1,3]thiazolo[5,4-b]pyridin-2-yl)piperidin-4-yl]-pyrrolidin-1-ylmethanone?
The canonical SMILES for [1-(5-pyridin-4-yl-[1,3]thiazolo[5,4-b]pyridin-2-yl)piperidin-4-yl]-pyrrolidin-1-ylmethanone is O=C(C1CCN(c2nc3ccc(-c4ccncc4)nc3s2)CC1)N1CCCC1.
What is the InChIKey of [1-(5-pyridin-4-yl-[1,3]thiazolo[5,4-b]pyridin-2-yl)piperidin-4-yl]-pyrrolidin-1-ylmethanone?
The InChIKey is SWRYAOPRYUGOMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N5OS/c27-20(25-11-1-2-12-25)16-7-13-26(14-8-16)21-24-18-4-3-17(23-19(18)28-21)15-5-9-22-10-6-15/h3-6,9-10,16H,1-2,7-8,11-14H2.
What are the key properties of [1-(5-pyridin-4-yl-[1,3]thiazolo[5,4-b]pyridin-2-yl)piperidin-4-yl]-pyrrolidin-1-ylmethanone?
[1-(5-pyridin-4-yl-[1,3]thiazolo[5,4-b]pyridin-2-yl)piperidin-4-yl]-pyrrolidin-1-ylmethanone has a molecular weight of 393.52 g/mol, XLogP of 3.59, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(5-pyridin-4-yl-[1,3]thiazolo[5,4-b]pyridin-2-yl)piperidin-4-yl]-pyrrolidin-1-ylmethanone is sourced from PubChem (CID 53187371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).