(3S,4R)-4-hydroxy-N-[[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]-1-(6-methylpyrazolo[1,5-a]pyridine-3-carbonyl)piperidine-3-carboxamide

C20H24N6O5 — CID 169413915

IUPAC(3S,4R)-4-hydroxy-N-[[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]-1-(6-methylpyrazolo[1,5-a]pyridine-3-carbonyl)piperidine-3-carboxamide
SMILESCOCc1noc(CNC(=O)[C@H]2CN(C(=O)c3cnn4cc(C)ccc34)CC[C@H]2O)n1
InChIInChI=1S/C20H24N6O5/c1-12-3-4-15-13(7-22-26(15)9-12)20(29)25-6-5-16(27)14(10-25)19(28)21-8-18-23-17(11-30-2)24-31-18/h3-4,7,9,14,16,27H,5-6,8,10-11H2,1-2H3,(H,21,28)/t14-,16+/m0/s1
InChIKeyFDURRQKLQSRKCC-GOEBONIOSA-N
MW428.45 g/mol
LogP0.31
Rot. Bonds6

About (3S,4R)-4-hydroxy-N-[[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]-1-(6-methylpyrazolo[1,5-a]pyridine-3-carbonyl)piperidine-3-carboxamide

(3S,4R)-4-hydroxy-N-[[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]-1-(6-methylpyrazolo[1,5-a]pyridine-3-carbonyl)piperidine-3-carboxamide (PubChem CID 169413915) has the molecular formula C20H24N6O5 and a molecular weight of 428.45 g/mol. Its IUPAC name is (3S,4R)-4-hydroxy-N-[[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]-1-(6-methylpyrazolo[1,5-a]pyridine-3-carbonyl)piperidine-3-carboxamide.

Molecular Properties

Compound Name(3S,4R)-4-hydroxy-N-[[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]-1-(6-methylpyrazolo[1,5-a]pyridine-3-carbonyl)piperidine-3-carboxamide
PubChem CID169413915
Molecular FormulaC20H24N6O5
Molecular Weight428.45 g/mol
Exact Mass428.18
IUPAC Name(3S,4R)-4-hydroxy-N-[[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]-1-(6-methylpyrazolo[1,5-a]pyridine-3-carbonyl)piperidine-3-carboxamide
SMILESCOCc1noc(CNC(=O)[C@H]2CN(C(=O)c3cnn4cc(C)ccc34)CC[C@H]2O)n1
InChIInChI=1S/C20H24N6O5/c1-12-3-4-15-13(7-22-26(15)9-12)20(29)25-6-5-16(27)14(10-25)19(28)21-8-18-23-17(11-30-2)24-31-18/h3-4,7,9,14,16,27H,5-6,8,10-11H2,1-2H3,(H,21,28)/t14-,16+/m0/s1
InChIKeyFDURRQKLQSRKCC-GOEBONIOSA-N
XLogP0.31
TPSA135.09 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.45
LogP ≤ 50.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of (3S,4R)-4-hydroxy-N-[[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]-1-(6-methylpyrazolo[1,5-a]pyridine-3-carbonyl)piperidine-3-carboxamide?
The IUPAC name of (3S,4R)-4-hydroxy-N-[[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]-1-(6-methylpyrazolo[1,5-a]pyridine-3-carbonyl)piperidine-3-carboxamide (CID 169413915) is (3S,4R)-4-hydroxy-N-[[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]-1-(6-methylpyrazolo[1,5-a]pyridine-3-carbonyl)piperidine-3-carboxamide.
What is the SMILES notation for (3S,4R)-4-hydroxy-N-[[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]-1-(6-methylpyrazolo[1,5-a]pyridine-3-carbonyl)piperidine-3-carboxamide?
The canonical SMILES for (3S,4R)-4-hydroxy-N-[[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]-1-(6-methylpyrazolo[1,5-a]pyridine-3-carbonyl)piperidine-3-carboxamide is COCc1noc(CNC(=O)[C@H]2CN(C(=O)c3cnn4cc(C)ccc34)CC[C@H]2O)n1.
What is the InChIKey of (3S,4R)-4-hydroxy-N-[[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]-1-(6-methylpyrazolo[1,5-a]pyridine-3-carbonyl)piperidine-3-carboxamide?
The InChIKey is FDURRQKLQSRKCC-GOEBONIOSA-N. The full InChI is InChI=1S/C20H24N6O5/c1-12-3-4-15-13(7-22-26(15)9-12)20(29)25-6-5-16(27)14(10-25)19(28)21-8-18-23-17(11-30-2)24-31-18/h3-4,7,9,14,16,27H,5-6,8,10-11H2,1-2H3,(H,21,28)/t14-,16+/m0/s1.
What are the key properties of (3S,4R)-4-hydroxy-N-[[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]-1-(6-methylpyrazolo[1,5-a]pyridine-3-carbonyl)piperidine-3-carboxamide?
(3S,4R)-4-hydroxy-N-[[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]-1-(6-methylpyrazolo[1,5-a]pyridine-3-carbonyl)piperidine-3-carboxamide has a molecular weight of 428.45 g/mol, XLogP of 0.31, 6 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4R)-4-hydroxy-N-[[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]-1-(6-methylpyrazolo[1,5-a]pyridine-3-carbonyl)piperidine-3-carboxamide is sourced from PubChem (CID 169413915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).