8-[3-chloro-5-cyclopropyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyridine-2-carbonyl]-2,8-diazaspiro[4.5]decan-3-one

C20H20ClF3N4O2 — CID 86578446

IUPAC8-[3-chloro-5-cyclopropyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyridine-2-carbonyl]-2,8-diazaspiro[4.5]decan-3-one
SMILESO=C1CC2(CCN(C(=O)c3nn4c(C(F)(F)F)cc(C5CC5)cc4c3Cl)CC2)CN1
InChIInChI=1S/C20H20ClF3N4O2/c21-16-13-7-12(11-1-2-11)8-14(20(22,23)24)28(13)26-17(16)18(30)27-5-3-19(4-6-27)9-15(29)25-10-19/h7-8,11H,1-6,9-10H2,(H,25,29)
InChIKeyIVZARHABHXXYMB-UHFFFAOYSA-N
MW440.85 g/mol
LogP3.63
Rot. Bonds2

About 8-[3-chloro-5-cyclopropyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyridine-2-carbonyl]-2,8-diazaspiro[4.5]decan-3-one

8-[3-chloro-5-cyclopropyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyridine-2-carbonyl]-2,8-diazaspiro[4.5]decan-3-one (PubChem CID 86578446) has the molecular formula C20H20ClF3N4O2 and a molecular weight of 440.85 g/mol. Its IUPAC name is 8-[3-chloro-5-cyclopropyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyridine-2-carbonyl]-2,8-diazaspiro[4.5]decan-3-one.

Molecular Properties

Compound Name8-[3-chloro-5-cyclopropyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyridine-2-carbonyl]-2,8-diazaspiro[4.5]decan-3-one
PubChem CID86578446
Molecular FormulaC20H20ClF3N4O2
Molecular Weight440.85 g/mol
Exact Mass440.12
IUPAC Name8-[3-chloro-5-cyclopropyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyridine-2-carbonyl]-2,8-diazaspiro[4.5]decan-3-one
SMILESO=C1CC2(CCN(C(=O)c3nn4c(C(F)(F)F)cc(C5CC5)cc4c3Cl)CC2)CN1
InChIInChI=1S/C20H20ClF3N4O2/c21-16-13-7-12(11-1-2-11)8-14(20(22,23)24)28(13)26-17(16)18(30)27-5-3-19(4-6-27)9-15(29)25-10-19/h7-8,11H,1-6,9-10H2,(H,25,29)
InChIKeyIVZARHABHXXYMB-UHFFFAOYSA-N
XLogP3.63
TPSA66.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.85
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 8-[3-chloro-5-cyclopropyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyridine-2-carbonyl]-2,8-diazaspiro[4.5]decan-3-one?
The IUPAC name of 8-[3-chloro-5-cyclopropyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyridine-2-carbonyl]-2,8-diazaspiro[4.5]decan-3-one (CID 86578446) is 8-[3-chloro-5-cyclopropyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyridine-2-carbonyl]-2,8-diazaspiro[4.5]decan-3-one.
What is the SMILES notation for 8-[3-chloro-5-cyclopropyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyridine-2-carbonyl]-2,8-diazaspiro[4.5]decan-3-one?
The canonical SMILES for 8-[3-chloro-5-cyclopropyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyridine-2-carbonyl]-2,8-diazaspiro[4.5]decan-3-one is O=C1CC2(CCN(C(=O)c3nn4c(C(F)(F)F)cc(C5CC5)cc4c3Cl)CC2)CN1.
What is the InChIKey of 8-[3-chloro-5-cyclopropyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyridine-2-carbonyl]-2,8-diazaspiro[4.5]decan-3-one?
The InChIKey is IVZARHABHXXYMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20ClF3N4O2/c21-16-13-7-12(11-1-2-11)8-14(20(22,23)24)28(13)26-17(16)18(30)27-5-3-19(4-6-27)9-15(29)25-10-19/h7-8,11H,1-6,9-10H2,(H,25,29).
What are the key properties of 8-[3-chloro-5-cyclopropyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyridine-2-carbonyl]-2,8-diazaspiro[4.5]decan-3-one?
8-[3-chloro-5-cyclopropyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyridine-2-carbonyl]-2,8-diazaspiro[4.5]decan-3-one has a molecular weight of 440.85 g/mol, XLogP of 3.63, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[3-chloro-5-cyclopropyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyridine-2-carbonyl]-2,8-diazaspiro[4.5]decan-3-one is sourced from PubChem (CID 86578446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).