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

C23H26N4O2S — CID 53187245

IUPAC[1-[5-(3-methoxyphenyl)-[1,3]thiazolo[5,4-b]pyridin-2-yl]piperidin-4-yl]-pyrrolidin-1-ylmethanone
SMILESCOc1cccc(-c2ccc3nc(N4CCC(C(=O)N5CCCC5)CC4)sc3n2)c1
InChIInChI=1S/C23H26N4O2S/c1-29-18-6-4-5-17(15-18)19-7-8-20-21(24-19)30-23(25-20)27-13-9-16(10-14-27)22(28)26-11-2-3-12-26/h4-8,15-16H,2-3,9-14H2,1H3
InChIKeyLKHTUPGIFGPZAB-UHFFFAOYSA-N
MW422.55 g/mol
LogP4.21
Rot. Bonds4

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

[1-[5-(3-methoxyphenyl)-[1,3]thiazolo[5,4-b]pyridin-2-yl]piperidin-4-yl]-pyrrolidin-1-ylmethanone (PubChem CID 53187245) has the molecular formula C23H26N4O2S and a molecular weight of 422.55 g/mol. Its IUPAC name is [1-[5-(3-methoxyphenyl)-[1,3]thiazolo[5,4-b]pyridin-2-yl]piperidin-4-yl]-pyrrolidin-1-ylmethanone.

Molecular Properties

Compound Name[1-[5-(3-methoxyphenyl)-[1,3]thiazolo[5,4-b]pyridin-2-yl]piperidin-4-yl]-pyrrolidin-1-ylmethanone
PubChem CID53187245
Molecular FormulaC23H26N4O2S
Molecular Weight422.55 g/mol
Exact Mass422.18
IUPAC Name[1-[5-(3-methoxyphenyl)-[1,3]thiazolo[5,4-b]pyridin-2-yl]piperidin-4-yl]-pyrrolidin-1-ylmethanone
SMILESCOc1cccc(-c2ccc3nc(N4CCC(C(=O)N5CCCC5)CC4)sc3n2)c1
InChIInChI=1S/C23H26N4O2S/c1-29-18-6-4-5-17(15-18)19-7-8-20-21(24-19)30-23(25-20)27-13-9-16(10-14-27)22(28)26-11-2-3-12-26/h4-8,15-16H,2-3,9-14H2,1H3
InChIKeyLKHTUPGIFGPZAB-UHFFFAOYSA-N
XLogP4.21
TPSA58.56 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.55
LogP ≤ 54.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [1-[5-(3-methoxyphenyl)-[1,3]thiazolo[5,4-b]pyridin-2-yl]piperidin-4-yl]-pyrrolidin-1-ylmethanone?
The IUPAC name of [1-[5-(3-methoxyphenyl)-[1,3]thiazolo[5,4-b]pyridin-2-yl]piperidin-4-yl]-pyrrolidin-1-ylmethanone (CID 53187245) is [1-[5-(3-methoxyphenyl)-[1,3]thiazolo[5,4-b]pyridin-2-yl]piperidin-4-yl]-pyrrolidin-1-ylmethanone.
What is the SMILES notation for [1-[5-(3-methoxyphenyl)-[1,3]thiazolo[5,4-b]pyridin-2-yl]piperidin-4-yl]-pyrrolidin-1-ylmethanone?
The canonical SMILES for [1-[5-(3-methoxyphenyl)-[1,3]thiazolo[5,4-b]pyridin-2-yl]piperidin-4-yl]-pyrrolidin-1-ylmethanone is COc1cccc(-c2ccc3nc(N4CCC(C(=O)N5CCCC5)CC4)sc3n2)c1.
What is the InChIKey of [1-[5-(3-methoxyphenyl)-[1,3]thiazolo[5,4-b]pyridin-2-yl]piperidin-4-yl]-pyrrolidin-1-ylmethanone?
The InChIKey is LKHTUPGIFGPZAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N4O2S/c1-29-18-6-4-5-17(15-18)19-7-8-20-21(24-19)30-23(25-20)27-13-9-16(10-14-27)22(28)26-11-2-3-12-26/h4-8,15-16H,2-3,9-14H2,1H3.
What are the key properties of [1-[5-(3-methoxyphenyl)-[1,3]thiazolo[5,4-b]pyridin-2-yl]piperidin-4-yl]-pyrrolidin-1-ylmethanone?
[1-[5-(3-methoxyphenyl)-[1,3]thiazolo[5,4-b]pyridin-2-yl]piperidin-4-yl]-pyrrolidin-1-ylmethanone has a molecular weight of 422.55 g/mol, XLogP of 4.21, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[5-(3-methoxyphenyl)-[1,3]thiazolo[5,4-b]pyridin-2-yl]piperidin-4-yl]-pyrrolidin-1-ylmethanone is sourced from PubChem (CID 53187245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).