(1-methylindazol-3-yl)-[(3R,5R)-3-phenylmethoxy-1-oxa-9-azaspiro[4.5]decan-9-yl]methanone

C24H27N3O3 — CID 97488853

IUPAC(1-methylindazol-3-yl)-[(3R,5R)-3-phenylmethoxy-1-oxa-9-azaspiro[4.5]decan-9-yl]methanone
SMILESCn1nc(C(=O)N2CCC[C@@]3(C[C@@H](OCc4ccccc4)CO3)C2)c2ccccc21
InChIInChI=1S/C24H27N3O3/c1-26-21-11-6-5-10-20(21)22(25-26)23(28)27-13-7-12-24(17-27)14-19(16-30-24)29-15-18-8-3-2-4-9-18/h2-6,8-11,19H,7,12-17H2,1H3/t19-,24-/m1/s1
InChIKeyGVRXQQURLIJWJV-NTKDMRAZSA-N
MW405.50 g/mol
LogP3.55
Rot. Bonds4

About (1-methylindazol-3-yl)-[(3R,5R)-3-phenylmethoxy-1-oxa-9-azaspiro[4.5]decan-9-yl]methanone

(1-methylindazol-3-yl)-[(3R,5R)-3-phenylmethoxy-1-oxa-9-azaspiro[4.5]decan-9-yl]methanone (PubChem CID 97488853) has the molecular formula C24H27N3O3 and a molecular weight of 405.50 g/mol. Its IUPAC name is (1-methylindazol-3-yl)-[(3R,5R)-3-phenylmethoxy-1-oxa-9-azaspiro[4.5]decan-9-yl]methanone.

Molecular Properties

Compound Name(1-methylindazol-3-yl)-[(3R,5R)-3-phenylmethoxy-1-oxa-9-azaspiro[4.5]decan-9-yl]methanone
PubChem CID97488853
Molecular FormulaC24H27N3O3
Molecular Weight405.50 g/mol
Exact Mass405.21
IUPAC Name(1-methylindazol-3-yl)-[(3R,5R)-3-phenylmethoxy-1-oxa-9-azaspiro[4.5]decan-9-yl]methanone
SMILESCn1nc(C(=O)N2CCC[C@@]3(C[C@@H](OCc4ccccc4)CO3)C2)c2ccccc21
InChIInChI=1S/C24H27N3O3/c1-26-21-11-6-5-10-20(21)22(25-26)23(28)27-13-7-12-24(17-27)14-19(16-30-24)29-15-18-8-3-2-4-9-18/h2-6,8-11,19H,7,12-17H2,1H3/t19-,24-/m1/s1
InChIKeyGVRXQQURLIJWJV-NTKDMRAZSA-N
XLogP3.55
TPSA56.59 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.50
LogP ≤ 53.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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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)-(3-methyl-1-oxa-7-azaspiro[4.4]nonan-7-yl)methanone
CID 131651071
[(3S,5S)-3-ethoxy-1-oxa-9-azaspiro[4.5]decan-9-yl]-quinolin-4-ylmethanone;2,2,2-trifluoroacetic acid
CID 155831753
2-phenyl-1-[(3S,5R)-3-phenylmethoxy-1-oxa-7-azaspiro[4.4]nonan-7-yl]ethanone
CID 97394324
(2-methylpyrazol-3-yl)-[(3R,5S)-3-(pyridin-2-ylmethoxy)-1-oxa-9-azaspiro[4.5]decan-9-yl]methanone
CID 97419569
phenyl-[(3S,5S)-3-(pyridin-2-ylmethoxy)-1-oxa-9-azaspiro[4.5]decan-9-yl]methanone
CID 97474956
(2-methylfuran-3-yl)-[(3R,5S)-3-(pyridin-4-ylmethoxy)-1-oxa-9-azaspiro[4.5]decan-9-yl]methanone
CID 97419525
pyridin-2-yl-[(3R,5S)-3-(pyridin-3-ylmethoxy)-1-oxa-9-azaspiro[4.5]decan-9-yl]methanone;2,2,2-trifluoroacetic acid
CID 171693394
pyridin-2-yl-[(3S,5S)-3-(pyridin-3-ylmethoxy)-1-oxa-9-azaspiro[4.5]decan-9-yl]methanone;bis(2,2,2-trifluoroacetic acid)
CID 155845724
2-ethoxy-1-[(3S,5S)-3-(pyridin-4-ylmethoxy)-1-oxa-9-azaspiro[4.5]decan-9-yl]ethanone;2,2,2-trifluoroacetic acid
CID 155846144
(1-methylpyrazol-3-yl)-[(3R,5S)-3-(pyridin-2-ylmethoxy)-1-oxa-9-azaspiro[4.5]decan-9-yl]methanone
CID 97419568
[(3R,5S)-3-(pyridin-4-ylmethoxy)-1-oxa-9-azaspiro[4.5]decan-9-yl]-thiophen-3-ylmethanone
CID 97419526

Frequently Asked Questions

What is the IUPAC name of (1-methylindazol-3-yl)-[(3R,5R)-3-phenylmethoxy-1-oxa-9-azaspiro[4.5]decan-9-yl]methanone?
The IUPAC name of (1-methylindazol-3-yl)-[(3R,5R)-3-phenylmethoxy-1-oxa-9-azaspiro[4.5]decan-9-yl]methanone (CID 97488853) is (1-methylindazol-3-yl)-[(3R,5R)-3-phenylmethoxy-1-oxa-9-azaspiro[4.5]decan-9-yl]methanone.
What is the SMILES notation for (1-methylindazol-3-yl)-[(3R,5R)-3-phenylmethoxy-1-oxa-9-azaspiro[4.5]decan-9-yl]methanone?
The canonical SMILES for (1-methylindazol-3-yl)-[(3R,5R)-3-phenylmethoxy-1-oxa-9-azaspiro[4.5]decan-9-yl]methanone is Cn1nc(C(=O)N2CCC[C@@]3(C[C@@H](OCc4ccccc4)CO3)C2)c2ccccc21.
What is the InChIKey of (1-methylindazol-3-yl)-[(3R,5R)-3-phenylmethoxy-1-oxa-9-azaspiro[4.5]decan-9-yl]methanone?
The InChIKey is GVRXQQURLIJWJV-NTKDMRAZSA-N. The full InChI is InChI=1S/C24H27N3O3/c1-26-21-11-6-5-10-20(21)22(25-26)23(28)27-13-7-12-24(17-27)14-19(16-30-24)29-15-18-8-3-2-4-9-18/h2-6,8-11,19H,7,12-17H2,1H3/t19-,24-/m1/s1.
What are the key properties of (1-methylindazol-3-yl)-[(3R,5R)-3-phenylmethoxy-1-oxa-9-azaspiro[4.5]decan-9-yl]methanone?
(1-methylindazol-3-yl)-[(3R,5R)-3-phenylmethoxy-1-oxa-9-azaspiro[4.5]decan-9-yl]methanone has a molecular weight of 405.50 g/mol, XLogP of 3.55, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1-methylindazol-3-yl)-[(3R,5R)-3-phenylmethoxy-1-oxa-9-azaspiro[4.5]decan-9-yl]methanone is sourced from PubChem (CID 97488853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).