(5R)-N-(3H-indol-2-yl)-7-oxa-2-azaspiro[4.5]decane-2-carboxamide;methanol;1-methylpyrazole

C22H31N5O3 — CID 167705786

IUPAC(5R)-N-(3H-indol-2-yl)-7-oxa-2-azaspiro[4.5]decane-2-carboxamide;methanol;1-methylpyrazole
SMILESCO.Cn1cccn1.O=C(NC1=Nc2ccccc2C1)N1CC[C@]2(CCCOC2)C1
InChIInChI=1S/C17H21N3O2.C4H6N2.CH4O/c21-16(19-15-10-13-4-1-2-5-14(13)18-15)20-8-7-17(11-20)6-3-9-22-12-17;1-6-4-2-3-5-6;1-2/h1-2,4-5H,3,6-12H2,(H,18,19,21);2-4H,1H3;2H,1H3/t17-;;/m1../s1
InChIKeyZBTQKPSQBHRRIW-ZEECNFPPSA-N
MW413.52 g/mol
LogP2.51
Rot. Bonds

About (5R)-N-(3H-indol-2-yl)-7-oxa-2-azaspiro[4.5]decane-2-carboxamide;methanol;1-methylpyrazole

(5R)-N-(3H-indol-2-yl)-7-oxa-2-azaspiro[4.5]decane-2-carboxamide;methanol;1-methylpyrazole (PubChem CID 167705786) has the molecular formula C22H31N5O3 and a molecular weight of 413.52 g/mol. Its IUPAC name is (5R)-N-(3H-indol-2-yl)-7-oxa-2-azaspiro[4.5]decane-2-carboxamide;methanol;1-methylpyrazole.

Molecular Properties

Compound Name(5R)-N-(3H-indol-2-yl)-7-oxa-2-azaspiro[4.5]decane-2-carboxamide;methanol;1-methylpyrazole
PubChem CID167705786
Molecular FormulaC22H31N5O3
Molecular Weight413.52 g/mol
Exact Mass413.24
IUPAC Name(5R)-N-(3H-indol-2-yl)-7-oxa-2-azaspiro[4.5]decane-2-carboxamide;methanol;1-methylpyrazole
SMILESCO.Cn1cccn1.O=C(NC1=Nc2ccccc2C1)N1CC[C@]2(CCCOC2)C1
InChIInChI=1S/C17H21N3O2.C4H6N2.CH4O/c21-16(19-15-10-13-4-1-2-5-14(13)18-15)20-8-7-17(11-20)6-3-9-22-12-17;1-6-4-2-3-5-6;1-2/h1-2,4-5H,3,6-12H2,(H,18,19,21);2-4H,1H3;2H,1H3/t17-;;/m1../s1
InChIKeyZBTQKPSQBHRRIW-ZEECNFPPSA-N
XLogP2.51
TPSA91.98 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.52
LogP ≤ 52.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze (5R)-N-(3H-indol-2-yl)-7-oxa-2-azaspiro[4.5]decane-2-carboxamide;methanol;1-methylpyrazole with MolForge

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Related Compounds

N-(3H-indol-2-yl)-7-oxa-2-azaspiro[4.5]decane-2-carboxamide;methanol;1-methylpyrazole
CID 162076476
N-(1H-benzimidazol-2-yl)-7-oxa-2-azaspiro[4.5]decane-2-carboxamide
CID 154973247
N-(3,5-dimethyl-1-phenylpyrazol-4-yl)-2-oxa-7-azaspiro[4.4]nonane-7-carboxamide
CID 126792098
(5S)-N-(5-fluoro-2-pyridinyl)-2-oxa-7-azaspiro[4.4]nonane-7-carboxamide
CID 99786692
(5S)-N-[2-(4-pyrazol-1-ylphenyl)ethyl]-2-oxa-7-azaspiro[4.4]nonane-7-carboxamide
CID 124592469
N-[4-methoxy-7-(1-methylpyrazol-4-yl)-3a,7a-dihydro-[1,3]thiazolo[4,5-c]pyridin-2-yl]-7-oxa-2-azaspiro[4.5]decane-2-carboxamide
CID 146652498
N-[(1-benzyl-4-ethylpiperidin-4-yl)methyl]-7-oxa-2-azaspiro[4.5]decane-2-carboxamide
CID 132972819
N-(4-methoxy-7-morpholin-4-yl-[1,3]thiazolo[4,5-c]pyridin-2-yl)-7-oxa-2-azaspiro[4.5]decane-2-carboxamide
CID 142524461
tert-butyl 2-[[(5R)-2-oxa-7-azaspiro[4.4]nonane-7-carbonyl]amino]benzoate
CID 124615985
(5S)-N-(2-chloro-6-methylphenyl)-2-oxa-7-azaspiro[4.4]nonane-7-carboxamide
CID 99633932
N-(4-methoxy-7-pyridin-4-yl-3H-indol-2-yl)-2-oxa-7-azaspiro[3.4]octane-7-carboxamide
CID 159878969
N-(3-cyclohexyl-1-methylpyrazol-4-yl)-6-oxa-9-azaspiro[3.6]decane-9-carboxamide
CID 128636882

Frequently Asked Questions

What is the IUPAC name of (5R)-N-(3H-indol-2-yl)-7-oxa-2-azaspiro[4.5]decane-2-carboxamide;methanol;1-methylpyrazole?
The IUPAC name of (5R)-N-(3H-indol-2-yl)-7-oxa-2-azaspiro[4.5]decane-2-carboxamide;methanol;1-methylpyrazole (CID 167705786) is (5R)-N-(3H-indol-2-yl)-7-oxa-2-azaspiro[4.5]decane-2-carboxamide;methanol;1-methylpyrazole.
What is the SMILES notation for (5R)-N-(3H-indol-2-yl)-7-oxa-2-azaspiro[4.5]decane-2-carboxamide;methanol;1-methylpyrazole?
The canonical SMILES for (5R)-N-(3H-indol-2-yl)-7-oxa-2-azaspiro[4.5]decane-2-carboxamide;methanol;1-methylpyrazole is CO.Cn1cccn1.O=C(NC1=Nc2ccccc2C1)N1CC[C@]2(CCCOC2)C1.
What is the InChIKey of (5R)-N-(3H-indol-2-yl)-7-oxa-2-azaspiro[4.5]decane-2-carboxamide;methanol;1-methylpyrazole?
The InChIKey is ZBTQKPSQBHRRIW-ZEECNFPPSA-N. The full InChI is InChI=1S/C17H21N3O2.C4H6N2.CH4O/c21-16(19-15-10-13-4-1-2-5-14(13)18-15)20-8-7-17(11-20)6-3-9-22-12-17;1-6-4-2-3-5-6;1-2/h1-2,4-5H,3,6-12H2,(H,18,19,21);2-4H,1H3;2H,1H3/t17-;;/m1../s1.
What are the key properties of (5R)-N-(3H-indol-2-yl)-7-oxa-2-azaspiro[4.5]decane-2-carboxamide;methanol;1-methylpyrazole?
(5R)-N-(3H-indol-2-yl)-7-oxa-2-azaspiro[4.5]decane-2-carboxamide;methanol;1-methylpyrazole has a molecular weight of 413.52 g/mol, XLogP of 2.51, 0 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-N-(3H-indol-2-yl)-7-oxa-2-azaspiro[4.5]decane-2-carboxamide;methanol;1-methylpyrazole is sourced from PubChem (CID 167705786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).