N-[3-(4-hydroxyphenyl)-1-oxo-1-(3-oxo-5,6,7,7a-tetrahydro-3aH-furo[3,2-b]pyridin-4-yl)propan-2-yl]-2-pyridin-3-yl-1,3-thiazole-4-carboxamide

C25H24N4O5S — CID 72563090

IUPACN-[3-(4-hydroxyphenyl)-1-oxo-1-(3-oxo-5,6,7,7a-tetrahydro-3aH-furo[3,2-b]pyridin-4-yl)propan-2-yl]-2-pyridin-3-yl-1,3-thiazole-4-carboxamide
SMILESO=C(NC(Cc1ccc(O)cc1)C(=O)N1CCCC2OCC(=O)C21)c1csc(-c2cccnc2)n1
InChIInChI=1S/C25H24N4O5S/c30-17-7-5-15(6-8-17)11-18(25(33)29-10-2-4-21-22(29)20(31)13-34-21)27-23(32)19-14-35-24(28-19)16-3-1-9-26-12-16/h1,3,5-9,12,14,18,21-22,30H,2,4,10-11,13H2,(H,27,32)
InChIKeyWFPRXRJQFKYWOP-UHFFFAOYSA-N
MW492.56 g/mol
LogP2.21
Rot. Bonds6

About N-[3-(4-hydroxyphenyl)-1-oxo-1-(3-oxo-5,6,7,7a-tetrahydro-3aH-furo[3,2-b]pyridin-4-yl)propan-2-yl]-2-pyridin-3-yl-1,3-thiazole-4-carboxamide

N-[3-(4-hydroxyphenyl)-1-oxo-1-(3-oxo-5,6,7,7a-tetrahydro-3aH-furo[3,2-b]pyridin-4-yl)propan-2-yl]-2-pyridin-3-yl-1,3-thiazole-4-carboxamide (PubChem CID 72563090) has the molecular formula C25H24N4O5S and a molecular weight of 492.56 g/mol. Its IUPAC name is N-[3-(4-hydroxyphenyl)-1-oxo-1-(3-oxo-5,6,7,7a-tetrahydro-3aH-furo[3,2-b]pyridin-4-yl)propan-2-yl]-2-pyridin-3-yl-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound NameN-[3-(4-hydroxyphenyl)-1-oxo-1-(3-oxo-5,6,7,7a-tetrahydro-3aH-furo[3,2-b]pyridin-4-yl)propan-2-yl]-2-pyridin-3-yl-1,3-thiazole-4-carboxamide
PubChem CID72563090
Molecular FormulaC25H24N4O5S
Molecular Weight492.56 g/mol
Exact Mass492.15
IUPAC NameN-[3-(4-hydroxyphenyl)-1-oxo-1-(3-oxo-5,6,7,7a-tetrahydro-3aH-furo[3,2-b]pyridin-4-yl)propan-2-yl]-2-pyridin-3-yl-1,3-thiazole-4-carboxamide
SMILESO=C(NC(Cc1ccc(O)cc1)C(=O)N1CCCC2OCC(=O)C21)c1csc(-c2cccnc2)n1
InChIInChI=1S/C25H24N4O5S/c30-17-7-5-15(6-8-17)11-18(25(33)29-10-2-4-21-22(29)20(31)13-34-21)27-23(32)19-14-35-24(28-19)16-3-1-9-26-12-16/h1,3,5-9,12,14,18,21-22,30H,2,4,10-11,13H2,(H,27,32)
InChIKeyWFPRXRJQFKYWOP-UHFFFAOYSA-N
XLogP2.21
TPSA121.72 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500492.56
LogP ≤ 52.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze N-[3-(4-hydroxyphenyl)-1-oxo-1-(3-oxo-5,6,7,7a-tetrahydro-3aH-furo[3,2-b]pyridin-4-yl)propan-2-yl]-2-pyridin-3-yl-1,3-thiazole-4-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[3-(4-hydroxyphenyl)-1-oxo-1-(3-oxo-5,6,7,7a-tetrahydro-3aH-furo[3,2-b]pyridin-4-yl)propan-2-yl]-2-pyridin-3-yl-1,3-thiazole-4-carboxamide?
The IUPAC name of N-[3-(4-hydroxyphenyl)-1-oxo-1-(3-oxo-5,6,7,7a-tetrahydro-3aH-furo[3,2-b]pyridin-4-yl)propan-2-yl]-2-pyridin-3-yl-1,3-thiazole-4-carboxamide (CID 72563090) is N-[3-(4-hydroxyphenyl)-1-oxo-1-(3-oxo-5,6,7,7a-tetrahydro-3aH-furo[3,2-b]pyridin-4-yl)propan-2-yl]-2-pyridin-3-yl-1,3-thiazole-4-carboxamide.
What is the SMILES notation for N-[3-(4-hydroxyphenyl)-1-oxo-1-(3-oxo-5,6,7,7a-tetrahydro-3aH-furo[3,2-b]pyridin-4-yl)propan-2-yl]-2-pyridin-3-yl-1,3-thiazole-4-carboxamide?
The canonical SMILES for N-[3-(4-hydroxyphenyl)-1-oxo-1-(3-oxo-5,6,7,7a-tetrahydro-3aH-furo[3,2-b]pyridin-4-yl)propan-2-yl]-2-pyridin-3-yl-1,3-thiazole-4-carboxamide is O=C(NC(Cc1ccc(O)cc1)C(=O)N1CCCC2OCC(=O)C21)c1csc(-c2cccnc2)n1.
What is the InChIKey of N-[3-(4-hydroxyphenyl)-1-oxo-1-(3-oxo-5,6,7,7a-tetrahydro-3aH-furo[3,2-b]pyridin-4-yl)propan-2-yl]-2-pyridin-3-yl-1,3-thiazole-4-carboxamide?
The InChIKey is WFPRXRJQFKYWOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24N4O5S/c30-17-7-5-15(6-8-17)11-18(25(33)29-10-2-4-21-22(29)20(31)13-34-21)27-23(32)19-14-35-24(28-19)16-3-1-9-26-12-16/h1,3,5-9,12,14,18,21-22,30H,2,4,10-11,13H2,(H,27,32).
What are the key properties of N-[3-(4-hydroxyphenyl)-1-oxo-1-(3-oxo-5,6,7,7a-tetrahydro-3aH-furo[3,2-b]pyridin-4-yl)propan-2-yl]-2-pyridin-3-yl-1,3-thiazole-4-carboxamide?
N-[3-(4-hydroxyphenyl)-1-oxo-1-(3-oxo-5,6,7,7a-tetrahydro-3aH-furo[3,2-b]pyridin-4-yl)propan-2-yl]-2-pyridin-3-yl-1,3-thiazole-4-carboxamide has a molecular weight of 492.56 g/mol, XLogP of 2.21, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(4-hydroxyphenyl)-1-oxo-1-(3-oxo-5,6,7,7a-tetrahydro-3aH-furo[3,2-b]pyridin-4-yl)propan-2-yl]-2-pyridin-3-yl-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 72563090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).