3-ethyl-8-[3-(4,5,6,7-tetrahydro-1H-indazol-3-yl)propanoyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one

C19H28N4O3 — CID 70783973

IUPAC3-ethyl-8-[3-(4,5,6,7-tetrahydro-1H-indazol-3-yl)propanoyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one
SMILESCCN1CC2(CCN(C(=O)CCc3n[nH]c4c3CCCC4)CC2)OC1=O
InChIInChI=1S/C19H28N4O3/c1-2-22-13-19(26-18(22)25)9-11-23(12-10-19)17(24)8-7-16-14-5-3-4-6-15(14)20-21-16/h2-13H2,1H3,(H,20,21)
InChIKeyKUSHEZVJFIYEHH-UHFFFAOYSA-N
MW360.46 g/mol
LogP2.05
Rot. Bonds4

About 3-ethyl-8-[3-(4,5,6,7-tetrahydro-1H-indazol-3-yl)propanoyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one

3-ethyl-8-[3-(4,5,6,7-tetrahydro-1H-indazol-3-yl)propanoyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one (PubChem CID 70783973) has the molecular formula C19H28N4O3 and a molecular weight of 360.46 g/mol. Its IUPAC name is 3-ethyl-8-[3-(4,5,6,7-tetrahydro-1H-indazol-3-yl)propanoyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one.

Molecular Properties

Compound Name3-ethyl-8-[3-(4,5,6,7-tetrahydro-1H-indazol-3-yl)propanoyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one
PubChem CID70783973
Molecular FormulaC19H28N4O3
Molecular Weight360.46 g/mol
Exact Mass360.22
IUPAC Name3-ethyl-8-[3-(4,5,6,7-tetrahydro-1H-indazol-3-yl)propanoyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one
SMILESCCN1CC2(CCN(C(=O)CCc3n[nH]c4c3CCCC4)CC2)OC1=O
InChIInChI=1S/C19H28N4O3/c1-2-22-13-19(26-18(22)25)9-11-23(12-10-19)17(24)8-7-16-14-5-3-4-6-15(14)20-21-16/h2-13H2,1H3,(H,20,21)
InChIKeyKUSHEZVJFIYEHH-UHFFFAOYSA-N
XLogP2.05
TPSA78.53 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.46
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-methyl-7-[(5-methyl-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridin-3-yl)carbonyl]-1-oxa-3,7-diazaspiro[4.4]nonan-2-one
CID 56892340
3-methyl-7-[(5-methyl-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridin-3-yl)carbonyl]-1-oxa-3,7-diazaspiro[4.5]decan-2-one
CID 56895561
[3-(2-piperidin-1-ylethoxy)pyrrolidin-1-yl]-(4,5,6,7-tetrahydro-1H-indazol-3-yl)methanone
CID 75384386
3-(3,5-dimethyl-1H-pyrazol-4-yl)-1-[3-hydroxy-3-(morpholin-4-ylmethyl)pyrrolidin-1-yl]propan-1-one
CID 118740051
1-({1-[3-(4,5-dimethyl-1H-pyrazol-3-yl)propanoyl]-4-piperidinyl}methyl)-2-pyrrolidinone
CID 70767195
8-[3-(4,5,6,7-tetrahydro-1H-indazol-3-yl)propanoyl]-1-oxa-8-azaspiro[4.5]decane
CID 56872090
3-(4,5,6,7-tetrahydro-1H-indazol-3-yl)-1-[2-(trifluoromethyl)morpholin-4-yl]propan-1-one
CID 56868121
1-[7-methyl-7-(trifluoromethyl)-1,4-oxazepan-4-yl]-3-(4,5,6,7-tetrahydro-1H-indazol-3-yl)propan-1-one
CID 166282411
3-cyclobutyl-5-[3-(4,5,6,7-tetrahydro-2H-indazol-3-yl)propanoyl]-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine
CID 31258820
7-(cyclopropylmethyl)-2-[3-(4,5,6,7-tetrahydro-2H-indazol-3-yl)propanoyl]-2,7-diazaspiro[4.5]decane
CID 45196097
N-[(3,5-dimethyl-4,5-dihydroisoxazol-5-yl)methyl]-3-(4,5,6,7-tetrahydro-2H-indazol-3-yl)propanamide
CID 50976082
1-(2-methoxyethyl)-N-methyl-N-(4,5,6,7-tetrahydro-1H-indazol-3-ylmethyl)pyrrolidine-3-carboxamide
CID 50980632

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-8-[3-(4,5,6,7-tetrahydro-1H-indazol-3-yl)propanoyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one?
The IUPAC name of 3-ethyl-8-[3-(4,5,6,7-tetrahydro-1H-indazol-3-yl)propanoyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one (CID 70783973) is 3-ethyl-8-[3-(4,5,6,7-tetrahydro-1H-indazol-3-yl)propanoyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one.
What is the SMILES notation for 3-ethyl-8-[3-(4,5,6,7-tetrahydro-1H-indazol-3-yl)propanoyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one?
The canonical SMILES for 3-ethyl-8-[3-(4,5,6,7-tetrahydro-1H-indazol-3-yl)propanoyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one is CCN1CC2(CCN(C(=O)CCc3n[nH]c4c3CCCC4)CC2)OC1=O.
What is the InChIKey of 3-ethyl-8-[3-(4,5,6,7-tetrahydro-1H-indazol-3-yl)propanoyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one?
The InChIKey is KUSHEZVJFIYEHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N4O3/c1-2-22-13-19(26-18(22)25)9-11-23(12-10-19)17(24)8-7-16-14-5-3-4-6-15(14)20-21-16/h2-13H2,1H3,(H,20,21).
What are the key properties of 3-ethyl-8-[3-(4,5,6,7-tetrahydro-1H-indazol-3-yl)propanoyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one?
3-ethyl-8-[3-(4,5,6,7-tetrahydro-1H-indazol-3-yl)propanoyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one has a molecular weight of 360.46 g/mol, XLogP of 2.05, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-8-[3-(4,5,6,7-tetrahydro-1H-indazol-3-yl)propanoyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one is sourced from PubChem (CID 70783973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).