(1-methylindazol-3-yl)-(3-methyl-1-oxa-7-azaspiro[4.4]nonan-7-yl)methanone

C17H21N3O2 — CID 131651071

IUPAC(1-methylindazol-3-yl)-(3-methyl-1-oxa-7-azaspiro[4.4]nonan-7-yl)methanone
SMILESCC1COC2(CCN(C(=O)c3nn(C)c4ccccc34)C2)C1
InChIInChI=1S/C17H21N3O2/c1-12-9-17(22-10-12)7-8-20(11-17)16(21)15-13-5-3-4-6-14(13)19(2)18-15/h3-6,12H,7-11H2,1-2H3
InChIKeyDUNUJOXZTJRQKQ-UHFFFAOYSA-N
MW299.37 g/mol
LogP2.21
Rot. Bonds1

About (1-methylindazol-3-yl)-(3-methyl-1-oxa-7-azaspiro[4.4]nonan-7-yl)methanone

(1-methylindazol-3-yl)-(3-methyl-1-oxa-7-azaspiro[4.4]nonan-7-yl)methanone (PubChem CID 131651071) has the molecular formula C17H21N3O2 and a molecular weight of 299.37 g/mol. Its IUPAC name is (1-methylindazol-3-yl)-(3-methyl-1-oxa-7-azaspiro[4.4]nonan-7-yl)methanone.

Molecular Properties

Compound Name(1-methylindazol-3-yl)-(3-methyl-1-oxa-7-azaspiro[4.4]nonan-7-yl)methanone
PubChem CID131651071
Molecular FormulaC17H21N3O2
Molecular Weight299.37 g/mol
Exact Mass299.16
IUPAC Name(1-methylindazol-3-yl)-(3-methyl-1-oxa-7-azaspiro[4.4]nonan-7-yl)methanone
SMILESCC1COC2(CCN(C(=O)c3nn(C)c4ccccc34)C2)C1
InChIInChI=1S/C17H21N3O2/c1-12-9-17(22-10-12)7-8-20(11-17)16(21)15-13-5-3-4-6-14(13)19(2)18-15/h3-6,12H,7-11H2,1-2H3
InChIKeyDUNUJOXZTJRQKQ-UHFFFAOYSA-N
XLogP2.21
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.37
LogP ≤ 52.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(3-methoxy-1-oxa-9-azaspiro[4.5]decan-9-yl)-(1-methylindazol-3-yl)methanone
CID 134071274
(1-methylindazol-3-yl)-[(3R,5R)-3-phenylmethoxy-1-oxa-9-azaspiro[4.5]decan-9-yl]methanone
CID 97488853
[3-[(1-methylimidazol-2-yl)amino]-1-oxa-8-azaspiro[4.5]decan-8-yl]-(1-methylindazol-3-yl)methanone
CID 131659460
(1-methylindazol-3-yl)-pyrrolidin-1-ylmethanone
CID 110848618
(1-methylindazol-3-yl)-(4-methyl-1-oxa-9-azaspiro[5.5]undec-4-en-9-yl)methanone
CID 135093117
(4-bromopiperidin-1-yl)-(1-methylindazol-3-yl)methanone
CID 103122439
[3-(4-cyclohexylpiperazin-1-yl)azetidin-1-yl]-(1-methylindazol-3-yl)methanone
CID 126892556
(4aS,8aS)-1-methyl-7-(1-methylindazole-3-carbonyl)-3,4,5,6,8,8a-hexahydro-2H-1,7-naphthyridine-4a-carboxylic acid
CID 135114496
[3-(hydroxymethyl)pyrrolidin-1-yl]-(1-methylindazol-3-yl)methanone
CID 103120147
[(3R)-3-(hydroxymethyl)pyrrolidin-1-yl]-(1-methylindazol-3-yl)methanone
CID 166081502
[2-(aminomethyl)-6-methylmorpholin-4-yl]-(1-methylindazol-3-yl)methanone
CID 103123263
1-[(3R,5R)-3-methyl-1-oxa-7-azaspiro[4.4]nonan-7-yl]-2-pyridin-3-ylethanone
CID 97393983

Frequently Asked Questions

What is the IUPAC name of (1-methylindazol-3-yl)-(3-methyl-1-oxa-7-azaspiro[4.4]nonan-7-yl)methanone?
The IUPAC name of (1-methylindazol-3-yl)-(3-methyl-1-oxa-7-azaspiro[4.4]nonan-7-yl)methanone (CID 131651071) is (1-methylindazol-3-yl)-(3-methyl-1-oxa-7-azaspiro[4.4]nonan-7-yl)methanone.
What is the SMILES notation for (1-methylindazol-3-yl)-(3-methyl-1-oxa-7-azaspiro[4.4]nonan-7-yl)methanone?
The canonical SMILES for (1-methylindazol-3-yl)-(3-methyl-1-oxa-7-azaspiro[4.4]nonan-7-yl)methanone is CC1COC2(CCN(C(=O)c3nn(C)c4ccccc34)C2)C1.
What is the InChIKey of (1-methylindazol-3-yl)-(3-methyl-1-oxa-7-azaspiro[4.4]nonan-7-yl)methanone?
The InChIKey is DUNUJOXZTJRQKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O2/c1-12-9-17(22-10-12)7-8-20(11-17)16(21)15-13-5-3-4-6-14(13)19(2)18-15/h3-6,12H,7-11H2,1-2H3.
What are the key properties of (1-methylindazol-3-yl)-(3-methyl-1-oxa-7-azaspiro[4.4]nonan-7-yl)methanone?
(1-methylindazol-3-yl)-(3-methyl-1-oxa-7-azaspiro[4.4]nonan-7-yl)methanone has a molecular weight of 299.37 g/mol, XLogP of 2.21, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1-methylindazol-3-yl)-(3-methyl-1-oxa-7-azaspiro[4.4]nonan-7-yl)methanone is sourced from PubChem (CID 131651071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).