3-pentan-2-yl-8-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carbonyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one

C20H30N4O3 — CID 70788372

IUPAC3-pentan-2-yl-8-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carbonyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one
SMILESCCCC(C)N1CC2(CCN(C(=O)c3cnn4c3CCCC4)CC2)OC1=O
InChIInChI=1S/C20H30N4O3/c1-3-6-15(2)23-14-20(27-19(23)26)8-11-22(12-9-20)18(25)16-13-21-24-10-5-4-7-17(16)24/h13,15H,3-12,14H2,1-2H3
InChIKeyFGSBDLVTMYRACR-UHFFFAOYSA-N
MW374.49 g/mol
LogP2.84
Rot. Bonds4

About 3-pentan-2-yl-8-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carbonyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one

3-pentan-2-yl-8-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carbonyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one (PubChem CID 70788372) has the molecular formula C20H30N4O3 and a molecular weight of 374.49 g/mol. Its IUPAC name is 3-pentan-2-yl-8-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carbonyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one.

Molecular Properties

Compound Name3-pentan-2-yl-8-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carbonyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one
PubChem CID70788372
Molecular FormulaC20H30N4O3
Molecular Weight374.49 g/mol
Exact Mass374.23
IUPAC Name3-pentan-2-yl-8-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carbonyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one
SMILESCCCC(C)N1CC2(CCN(C(=O)c3cnn4c3CCCC4)CC2)OC1=O
InChIInChI=1S/C20H30N4O3/c1-3-6-15(2)23-14-20(27-19(23)26)8-11-22(12-9-20)18(25)16-13-21-24-10-5-4-7-17(16)24/h13,15H,3-12,14H2,1-2H3
InChIKeyFGSBDLVTMYRACR-UHFFFAOYSA-N
XLogP2.84
TPSA67.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.49
LogP ≤ 52.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-pentan-2-yl-8-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carbonyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one?
The IUPAC name of 3-pentan-2-yl-8-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carbonyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one (CID 70788372) is 3-pentan-2-yl-8-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carbonyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one.
What is the SMILES notation for 3-pentan-2-yl-8-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carbonyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one?
The canonical SMILES for 3-pentan-2-yl-8-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carbonyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one is CCCC(C)N1CC2(CCN(C(=O)c3cnn4c3CCCC4)CC2)OC1=O.
What is the InChIKey of 3-pentan-2-yl-8-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carbonyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one?
The InChIKey is FGSBDLVTMYRACR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30N4O3/c1-3-6-15(2)23-14-20(27-19(23)26)8-11-22(12-9-20)18(25)16-13-21-24-10-5-4-7-17(16)24/h13,15H,3-12,14H2,1-2H3.
What are the key properties of 3-pentan-2-yl-8-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carbonyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one?
3-pentan-2-yl-8-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carbonyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one has a molecular weight of 374.49 g/mol, XLogP of 2.84, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-pentan-2-yl-8-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carbonyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one is sourced from PubChem (CID 70788372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).