[2-(1-furo[2,3-c]pyridin-4-ylpiperidin-4-yl)-1,3-thiazol-4-yl]-[4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]methanone

C27H27N7O2S — CID 69376815

IUPAC[2-(1-furo[2,3-c]pyridin-4-ylpiperidin-4-yl)-1,3-thiazol-4-yl]-[4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]methanone
SMILESO=C(c1csc(C2CCN(c3cncc4occc34)CC2)n1)N1CCC(c2nnc3ccccn23)CC1
InChIInChI=1S/C27H27N7O2S/c35-27(33-12-4-18(5-13-33)25-31-30-24-3-1-2-9-34(24)25)21-17-37-26(29-21)19-6-10-32(11-7-19)22-15-28-16-23-20(22)8-14-36-23/h1-3,8-9,14-19H,4-7,10-13H2
InChIKeyMARAUSNMIKVJJB-UHFFFAOYSA-N
MW513.63 g/mol
LogP4.73
Rot. Bonds4

About [2-(1-furo[2,3-c]pyridin-4-ylpiperidin-4-yl)-1,3-thiazol-4-yl]-[4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]methanone

[2-(1-furo[2,3-c]pyridin-4-ylpiperidin-4-yl)-1,3-thiazol-4-yl]-[4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]methanone (PubChem CID 69376815) has the molecular formula C27H27N7O2S and a molecular weight of 513.63 g/mol. Its IUPAC name is [2-(1-furo[2,3-c]pyridin-4-ylpiperidin-4-yl)-1,3-thiazol-4-yl]-[4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name[2-(1-furo[2,3-c]pyridin-4-ylpiperidin-4-yl)-1,3-thiazol-4-yl]-[4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]methanone
PubChem CID69376815
Molecular FormulaC27H27N7O2S
Molecular Weight513.63 g/mol
Exact Mass513.19
IUPAC Name[2-(1-furo[2,3-c]pyridin-4-ylpiperidin-4-yl)-1,3-thiazol-4-yl]-[4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]methanone
SMILESO=C(c1csc(C2CCN(c3cncc4occc34)CC2)n1)N1CCC(c2nnc3ccccn23)CC1
InChIInChI=1S/C27H27N7O2S/c35-27(33-12-4-18(5-13-33)25-31-30-24-3-1-2-9-34(24)25)21-17-37-26(29-21)19-6-10-32(11-7-19)22-15-28-16-23-20(22)8-14-36-23/h1-3,8-9,14-19H,4-7,10-13H2
InChIKeyMARAUSNMIKVJJB-UHFFFAOYSA-N
XLogP4.73
TPSA92.66 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500513.63
LogP ≤ 54.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Analyze [2-(1-furo[2,3-c]pyridin-4-ylpiperidin-4-yl)-1,3-thiazol-4-yl]-[4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]methanone with MolForge

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Frequently Asked Questions

What is the IUPAC name of [2-(1-furo[2,3-c]pyridin-4-ylpiperidin-4-yl)-1,3-thiazol-4-yl]-[4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]methanone?
The IUPAC name of [2-(1-furo[2,3-c]pyridin-4-ylpiperidin-4-yl)-1,3-thiazol-4-yl]-[4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]methanone (CID 69376815) is [2-(1-furo[2,3-c]pyridin-4-ylpiperidin-4-yl)-1,3-thiazol-4-yl]-[4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]methanone.
What is the SMILES notation for [2-(1-furo[2,3-c]pyridin-4-ylpiperidin-4-yl)-1,3-thiazol-4-yl]-[4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]methanone?
The canonical SMILES for [2-(1-furo[2,3-c]pyridin-4-ylpiperidin-4-yl)-1,3-thiazol-4-yl]-[4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]methanone is O=C(c1csc(C2CCN(c3cncc4occc34)CC2)n1)N1CCC(c2nnc3ccccn23)CC1.
What is the InChIKey of [2-(1-furo[2,3-c]pyridin-4-ylpiperidin-4-yl)-1,3-thiazol-4-yl]-[4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]methanone?
The InChIKey is MARAUSNMIKVJJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H27N7O2S/c35-27(33-12-4-18(5-13-33)25-31-30-24-3-1-2-9-34(24)25)21-17-37-26(29-21)19-6-10-32(11-7-19)22-15-28-16-23-20(22)8-14-36-23/h1-3,8-9,14-19H,4-7,10-13H2.
What are the key properties of [2-(1-furo[2,3-c]pyridin-4-ylpiperidin-4-yl)-1,3-thiazol-4-yl]-[4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]methanone?
[2-(1-furo[2,3-c]pyridin-4-ylpiperidin-4-yl)-1,3-thiazol-4-yl]-[4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]methanone has a molecular weight of 513.63 g/mol, XLogP of 4.73, 4 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(1-furo[2,3-c]pyridin-4-ylpiperidin-4-yl)-1,3-thiazol-4-yl]-[4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]methanone is sourced from PubChem (CID 69376815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).