8-(6-chloroimidazo[1,2-a]pyrimidine-2-carbonyl)-3-ethyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one

C16H18ClN5O3 — CID 70768925

IUPAC8-(6-chloroimidazo[1,2-a]pyrimidine-2-carbonyl)-3-ethyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one
SMILESCCN1CC2(CCN(C(=O)c3cn4cc(Cl)cnc4n3)CC2)OC1=O
InChIInChI=1S/C16H18ClN5O3/c1-2-20-10-16(25-15(20)24)3-5-21(6-4-16)13(23)12-9-22-8-11(17)7-18-14(22)19-12/h7-9H,2-6,10H2,1H3
InChIKeyPCSUNBLZJLFZAB-UHFFFAOYSA-N
MW363.81 g/mol
LogP1.83
Rot. Bonds2

About 8-(6-chloroimidazo[1,2-a]pyrimidine-2-carbonyl)-3-ethyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one

8-(6-chloroimidazo[1,2-a]pyrimidine-2-carbonyl)-3-ethyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one (PubChem CID 70768925) has the molecular formula C16H18ClN5O3 and a molecular weight of 363.81 g/mol. Its IUPAC name is 8-(6-chloroimidazo[1,2-a]pyrimidine-2-carbonyl)-3-ethyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one.

Molecular Properties

Compound Name8-(6-chloroimidazo[1,2-a]pyrimidine-2-carbonyl)-3-ethyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one
PubChem CID70768925
Molecular FormulaC16H18ClN5O3
Molecular Weight363.81 g/mol
Exact Mass363.11
IUPAC Name8-(6-chloroimidazo[1,2-a]pyrimidine-2-carbonyl)-3-ethyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one
SMILESCCN1CC2(CCN(C(=O)c3cn4cc(Cl)cnc4n3)CC2)OC1=O
InChIInChI=1S/C16H18ClN5O3/c1-2-20-10-16(25-15(20)24)3-5-21(6-4-16)13(23)12-9-22-8-11(17)7-18-14(22)19-12/h7-9H,2-6,10H2,1H3
InChIKeyPCSUNBLZJLFZAB-UHFFFAOYSA-N
XLogP1.83
TPSA80.04 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.81
LogP ≤ 51.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 8-(6-chloroimidazo[1,2-a]pyrimidine-2-carbonyl)-3-ethyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one?
The IUPAC name of 8-(6-chloroimidazo[1,2-a]pyrimidine-2-carbonyl)-3-ethyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one (CID 70768925) is 8-(6-chloroimidazo[1,2-a]pyrimidine-2-carbonyl)-3-ethyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one.
What is the SMILES notation for 8-(6-chloroimidazo[1,2-a]pyrimidine-2-carbonyl)-3-ethyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one?
The canonical SMILES for 8-(6-chloroimidazo[1,2-a]pyrimidine-2-carbonyl)-3-ethyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one is CCN1CC2(CCN(C(=O)c3cn4cc(Cl)cnc4n3)CC2)OC1=O.
What is the InChIKey of 8-(6-chloroimidazo[1,2-a]pyrimidine-2-carbonyl)-3-ethyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one?
The InChIKey is PCSUNBLZJLFZAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18ClN5O3/c1-2-20-10-16(25-15(20)24)3-5-21(6-4-16)13(23)12-9-22-8-11(17)7-18-14(22)19-12/h7-9H,2-6,10H2,1H3.
What are the key properties of 8-(6-chloroimidazo[1,2-a]pyrimidine-2-carbonyl)-3-ethyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one?
8-(6-chloroimidazo[1,2-a]pyrimidine-2-carbonyl)-3-ethyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one has a molecular weight of 363.81 g/mol, XLogP of 1.83, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(6-chloroimidazo[1,2-a]pyrimidine-2-carbonyl)-3-ethyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one is sourced from PubChem (CID 70768925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).