5-methoxy-N-[(1-oxo-2-oxa-8-azaspiro[4.5]decan-3-yl)methyl]pyrazolo[1,5-a]pyridine-3-carboxamide;2,2,2-trifluoroacetic acid

C20H23F3N4O6 — CID 166304934

IUPAC5-methoxy-N-[(1-oxo-2-oxa-8-azaspiro[4.5]decan-3-yl)methyl]pyrazolo[1,5-a]pyridine-3-carboxamide;2,2,2-trifluoroacetic acid
SMILESCOc1ccn2ncc(C(=O)NCC3CC4(CCNCC4)C(=O)O3)c2c1.O=C(O)C(F)(F)F
InChIInChI=1S/C18H22N4O4.C2HF3O2/c1-25-12-2-7-22-15(8-12)14(11-21-22)16(23)20-10-13-9-18(17(24)26-13)3-5-19-6-4-18;3-2(4,5)1(6)7/h2,7-8,11,13,19H,3-6,9-10H2,1H3,(H,20,23);(H,6,7)
InChIKeyUFNSXOPLXFQPAJ-UHFFFAOYSA-N
MW472.42 g/mol
LogP1.39
Rot. Bonds4

About 5-methoxy-N-[(1-oxo-2-oxa-8-azaspiro[4.5]decan-3-yl)methyl]pyrazolo[1,5-a]pyridine-3-carboxamide;2,2,2-trifluoroacetic acid

5-methoxy-N-[(1-oxo-2-oxa-8-azaspiro[4.5]decan-3-yl)methyl]pyrazolo[1,5-a]pyridine-3-carboxamide;2,2,2-trifluoroacetic acid (PubChem CID 166304934) has the molecular formula C20H23F3N4O6 and a molecular weight of 472.42 g/mol. Its IUPAC name is 5-methoxy-N-[(1-oxo-2-oxa-8-azaspiro[4.5]decan-3-yl)methyl]pyrazolo[1,5-a]pyridine-3-carboxamide;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound Name5-methoxy-N-[(1-oxo-2-oxa-8-azaspiro[4.5]decan-3-yl)methyl]pyrazolo[1,5-a]pyridine-3-carboxamide;2,2,2-trifluoroacetic acid
PubChem CID166304934
Molecular FormulaC20H23F3N4O6
Molecular Weight472.42 g/mol
Exact Mass472.16
IUPAC Name5-methoxy-N-[(1-oxo-2-oxa-8-azaspiro[4.5]decan-3-yl)methyl]pyrazolo[1,5-a]pyridine-3-carboxamide;2,2,2-trifluoroacetic acid
SMILESCOc1ccn2ncc(C(=O)NCC3CC4(CCNCC4)C(=O)O3)c2c1.O=C(O)C(F)(F)F
InChIInChI=1S/C18H22N4O4.C2HF3O2/c1-25-12-2-7-22-15(8-12)14(11-21-22)16(23)20-10-13-9-18(17(24)26-13)3-5-19-6-4-18;3-2(4,5)1(6)7/h2,7-8,11,13,19H,3-6,9-10H2,1H3,(H,20,23);(H,6,7)
InChIKeyUFNSXOPLXFQPAJ-UHFFFAOYSA-N
XLogP1.39
TPSA131.26 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500472.42
LogP ≤ 51.39
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 5-methoxy-N-[(1-oxo-2-oxa-8-azaspiro[4.5]decan-3-yl)methyl]pyrazolo[1,5-a]pyridine-3-carboxamide;2,2,2-trifluoroacetic acid?
The IUPAC name of 5-methoxy-N-[(1-oxo-2-oxa-8-azaspiro[4.5]decan-3-yl)methyl]pyrazolo[1,5-a]pyridine-3-carboxamide;2,2,2-trifluoroacetic acid (CID 166304934) is 5-methoxy-N-[(1-oxo-2-oxa-8-azaspiro[4.5]decan-3-yl)methyl]pyrazolo[1,5-a]pyridine-3-carboxamide;2,2,2-trifluoroacetic acid.
What is the SMILES notation for 5-methoxy-N-[(1-oxo-2-oxa-8-azaspiro[4.5]decan-3-yl)methyl]pyrazolo[1,5-a]pyridine-3-carboxamide;2,2,2-trifluoroacetic acid?
The canonical SMILES for 5-methoxy-N-[(1-oxo-2-oxa-8-azaspiro[4.5]decan-3-yl)methyl]pyrazolo[1,5-a]pyridine-3-carboxamide;2,2,2-trifluoroacetic acid is COc1ccn2ncc(C(=O)NCC3CC4(CCNCC4)C(=O)O3)c2c1.O=C(O)C(F)(F)F.
What is the InChIKey of 5-methoxy-N-[(1-oxo-2-oxa-8-azaspiro[4.5]decan-3-yl)methyl]pyrazolo[1,5-a]pyridine-3-carboxamide;2,2,2-trifluoroacetic acid?
The InChIKey is UFNSXOPLXFQPAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N4O4.C2HF3O2/c1-25-12-2-7-22-15(8-12)14(11-21-22)16(23)20-10-13-9-18(17(24)26-13)3-5-19-6-4-18;3-2(4,5)1(6)7/h2,7-8,11,13,19H,3-6,9-10H2,1H3,(H,20,23);(H,6,7).
What are the key properties of 5-methoxy-N-[(1-oxo-2-oxa-8-azaspiro[4.5]decan-3-yl)methyl]pyrazolo[1,5-a]pyridine-3-carboxamide;2,2,2-trifluoroacetic acid?
5-methoxy-N-[(1-oxo-2-oxa-8-azaspiro[4.5]decan-3-yl)methyl]pyrazolo[1,5-a]pyridine-3-carboxamide;2,2,2-trifluoroacetic acid has a molecular weight of 472.42 g/mol, XLogP of 1.39, 4 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-N-[(1-oxo-2-oxa-8-azaspiro[4.5]decan-3-yl)methyl]pyrazolo[1,5-a]pyridine-3-carboxamide;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 166304934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).