4-chloro-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

C19H20ClF3N4O5 — CID 166261765

IUPAC4-chloro-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
SMILESO=C(NCC1CC2(CCNCC2)C(=O)O1)c1cnn2cccc(Cl)c12.O=C(O)C(F)(F)F
InChIInChI=1S/C17H19ClN4O3.C2HF3O2/c18-13-2-1-7-22-14(13)12(10-21-22)15(23)20-9-11-8-17(16(24)25-11)3-5-19-6-4-17;3-2(4,5)1(6)7/h1-2,7,10-11,19H,3-6,8-9H2,(H,20,23);(H,6,7)
InChIKeyGGSQFQJZTJNTDX-UHFFFAOYSA-N
MW476.84 g/mol
LogP2.04
Rot. Bonds3

About 4-chloro-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

4-chloro-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 166261765) has the molecular formula C19H20ClF3N4O5 and a molecular weight of 476.84 g/mol. Its IUPAC name is 4-chloro-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 Name4-chloro-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 CID166261765
Molecular FormulaC19H20ClF3N4O5
Molecular Weight476.84 g/mol
Exact Mass476.11
IUPAC Name4-chloro-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
SMILESO=C(NCC1CC2(CCNCC2)C(=O)O1)c1cnn2cccc(Cl)c12.O=C(O)C(F)(F)F
InChIInChI=1S/C17H19ClN4O3.C2HF3O2/c18-13-2-1-7-22-14(13)12(10-21-22)15(23)20-9-11-8-17(16(24)25-11)3-5-19-6-4-17;3-2(4,5)1(6)7/h1-2,7,10-11,19H,3-6,8-9H2,(H,20,23);(H,6,7)
InChIKeyGGSQFQJZTJNTDX-UHFFFAOYSA-N
XLogP2.04
TPSA122.03 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500476.84
LogP ≤ 52.04
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze 4-chloro-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 with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-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 4-chloro-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 166261765) is 4-chloro-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 4-chloro-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 4-chloro-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 O=C(NCC1CC2(CCNCC2)C(=O)O1)c1cnn2cccc(Cl)c12.O=C(O)C(F)(F)F.
What is the InChIKey of 4-chloro-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 GGSQFQJZTJNTDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19ClN4O3.C2HF3O2/c18-13-2-1-7-22-14(13)12(10-21-22)15(23)20-9-11-8-17(16(24)25-11)3-5-19-6-4-17;3-2(4,5)1(6)7/h1-2,7,10-11,19H,3-6,8-9H2,(H,20,23);(H,6,7).
What are the key properties of 4-chloro-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?
4-chloro-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 476.84 g/mol, XLogP of 2.04, 3 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-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 166261765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).