N-[1-(6-methyl-2-pyridinyl)piperidin-4-yl]-3-phenyl-[1,2]oxazolo[5,4-b]pyridine-5-sulfonamide

C23H23N5O3S — CID 100613961

IUPACN-[1-(6-methyl-2-pyridinyl)piperidin-4-yl]-3-phenyl-[1,2]oxazolo[5,4-b]pyridine-5-sulfonamide
SMILESCc1cccc(N2CCC(NS(=O)(=O)c3cnc4onc(-c5ccccc5)c4c3)CC2)n1
InChIInChI=1S/C23H23N5O3S/c1-16-6-5-9-21(25-16)28-12-10-18(11-13-28)27-32(29,30)19-14-20-22(17-7-3-2-4-8-17)26-31-23(20)24-15-19/h2-9,14-15,18,27H,10-13H2,1H3
InChIKeyJUYOWTJEZLLYBS-UHFFFAOYSA-N
MW449.54 g/mol
LogP3.54
Rot. Bonds5

About N-[1-(6-methyl-2-pyridinyl)piperidin-4-yl]-3-phenyl-[1,2]oxazolo[5,4-b]pyridine-5-sulfonamide

N-[1-(6-methyl-2-pyridinyl)piperidin-4-yl]-3-phenyl-[1,2]oxazolo[5,4-b]pyridine-5-sulfonamide (PubChem CID 100613961) has the molecular formula C23H23N5O3S and a molecular weight of 449.54 g/mol. Its IUPAC name is N-[1-(6-methyl-2-pyridinyl)piperidin-4-yl]-3-phenyl-[1,2]oxazolo[5,4-b]pyridine-5-sulfonamide.

Molecular Properties

Compound NameN-[1-(6-methyl-2-pyridinyl)piperidin-4-yl]-3-phenyl-[1,2]oxazolo[5,4-b]pyridine-5-sulfonamide
PubChem CID100613961
Molecular FormulaC23H23N5O3S
Molecular Weight449.54 g/mol
Exact Mass449.15
IUPAC NameN-[1-(6-methyl-2-pyridinyl)piperidin-4-yl]-3-phenyl-[1,2]oxazolo[5,4-b]pyridine-5-sulfonamide
SMILESCc1cccc(N2CCC(NS(=O)(=O)c3cnc4onc(-c5ccccc5)c4c3)CC2)n1
InChIInChI=1S/C23H23N5O3S/c1-16-6-5-9-21(25-16)28-12-10-18(11-13-28)27-32(29,30)19-14-20-22(17-7-3-2-4-8-17)26-31-23(20)24-15-19/h2-9,14-15,18,27H,10-13H2,1H3
InChIKeyJUYOWTJEZLLYBS-UHFFFAOYSA-N
XLogP3.54
TPSA101.22 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.54
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[1-(6-methyl-2-pyridinyl)piperidin-4-yl]-3-phenyl-[1,2]oxazolo[5,4-b]pyridine-5-sulfonamide?
The IUPAC name of N-[1-(6-methyl-2-pyridinyl)piperidin-4-yl]-3-phenyl-[1,2]oxazolo[5,4-b]pyridine-5-sulfonamide (CID 100613961) is N-[1-(6-methyl-2-pyridinyl)piperidin-4-yl]-3-phenyl-[1,2]oxazolo[5,4-b]pyridine-5-sulfonamide.
What is the SMILES notation for N-[1-(6-methyl-2-pyridinyl)piperidin-4-yl]-3-phenyl-[1,2]oxazolo[5,4-b]pyridine-5-sulfonamide?
The canonical SMILES for N-[1-(6-methyl-2-pyridinyl)piperidin-4-yl]-3-phenyl-[1,2]oxazolo[5,4-b]pyridine-5-sulfonamide is Cc1cccc(N2CCC(NS(=O)(=O)c3cnc4onc(-c5ccccc5)c4c3)CC2)n1.
What is the InChIKey of N-[1-(6-methyl-2-pyridinyl)piperidin-4-yl]-3-phenyl-[1,2]oxazolo[5,4-b]pyridine-5-sulfonamide?
The InChIKey is JUYOWTJEZLLYBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N5O3S/c1-16-6-5-9-21(25-16)28-12-10-18(11-13-28)27-32(29,30)19-14-20-22(17-7-3-2-4-8-17)26-31-23(20)24-15-19/h2-9,14-15,18,27H,10-13H2,1H3.
What are the key properties of N-[1-(6-methyl-2-pyridinyl)piperidin-4-yl]-3-phenyl-[1,2]oxazolo[5,4-b]pyridine-5-sulfonamide?
N-[1-(6-methyl-2-pyridinyl)piperidin-4-yl]-3-phenyl-[1,2]oxazolo[5,4-b]pyridine-5-sulfonamide has a molecular weight of 449.54 g/mol, XLogP of 3.54, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(6-methyl-2-pyridinyl)piperidin-4-yl]-3-phenyl-[1,2]oxazolo[5,4-b]pyridine-5-sulfonamide is sourced from PubChem (CID 100613961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).