(3-hydroxy-3-methylcyclobutyl)-[(6R)-6-(1-methylpyrazol-4-yl)-2-azaspiro[3.4]octan-2-yl]methanone

C17H25N3O2 — CID 175699497

IUPAC(3-hydroxy-3-methylcyclobutyl)-[(6R)-6-(1-methylpyrazol-4-yl)-2-azaspiro[3.4]octan-2-yl]methanone
SMILESCn1cc([C@@H]2CCC3(C2)CN(C(=O)C2CC(C)(O)C2)C3)cn1
InChIInChI=1S/C17H25N3O2/c1-16(22)5-13(6-16)15(21)20-10-17(11-20)4-3-12(7-17)14-8-18-19(2)9-14/h8-9,12-13,22H,3-7,10-11H2,1-2H3/t12-,13?,16?/m1/s1
InChIKeyYJYCGPOXLDFZIP-VEAWUBTESA-N
MW303.41 g/mol
LogP1.68
Rot. Bonds2

About (3-hydroxy-3-methylcyclobutyl)-[(6R)-6-(1-methylpyrazol-4-yl)-2-azaspiro[3.4]octan-2-yl]methanone

(3-hydroxy-3-methylcyclobutyl)-[(6R)-6-(1-methylpyrazol-4-yl)-2-azaspiro[3.4]octan-2-yl]methanone (PubChem CID 175699497) has the molecular formula C17H25N3O2 and a molecular weight of 303.41 g/mol. Its IUPAC name is (3-hydroxy-3-methylcyclobutyl)-[(6R)-6-(1-methylpyrazol-4-yl)-2-azaspiro[3.4]octan-2-yl]methanone.

Molecular Properties

Compound Name(3-hydroxy-3-methylcyclobutyl)-[(6R)-6-(1-methylpyrazol-4-yl)-2-azaspiro[3.4]octan-2-yl]methanone
PubChem CID175699497
Molecular FormulaC17H25N3O2
Molecular Weight303.41 g/mol
Exact Mass303.19
IUPAC Name(3-hydroxy-3-methylcyclobutyl)-[(6R)-6-(1-methylpyrazol-4-yl)-2-azaspiro[3.4]octan-2-yl]methanone
SMILESCn1cc([C@@H]2CCC3(C2)CN(C(=O)C2CC(C)(O)C2)C3)cn1
InChIInChI=1S/C17H25N3O2/c1-16(22)5-13(6-16)15(21)20-10-17(11-20)4-3-12(7-17)14-8-18-19(2)9-14/h8-9,12-13,22H,3-7,10-11H2,1-2H3/t12-,13?,16?/m1/s1
InChIKeyYJYCGPOXLDFZIP-VEAWUBTESA-N
XLogP1.68
TPSA58.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.41
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[(6S)-6-(4-cyclopropylphenyl)-2-azaspiro[3.4]octan-2-yl]-(3-hydroxy-3-methylcyclobutyl)methanone;sulfane
CID 165095352
(3-hydroxy-3-methylcyclobutyl)-[(6S)-6-[4-(trifluoromethoxy)phenyl]-2-azaspiro[3.4]octan-2-yl]methanone
CID 164710347
[(6R)-6-(6-tert-butyl-2-pyridinyl)-2-azaspiro[3.4]octan-2-yl]-(3-hydroxy-3-methylcyclobutyl)methanone
CID 175699469
[7-(3-ethyl-5-methylphenyl)-2-azaspiro[3.5]nonan-2-yl]-(3-hydroxy-3-methylcyclobutyl)methanone
CID 164710183
[7-(3-fluoro-5-methoxyphenyl)-2-azaspiro[3.5]nonan-2-yl]-(3-hydroxy-3-methylcyclobutyl)methanone
CID 164710104
(3-hydroxy-3-methylcyclobutyl)-[(6R)-6-[(1R)-1-phenylethyl]-2-azaspiro[3.4]octan-2-yl]methanone
CID 164710036
[7-[4-ethoxy-3-(trifluoromethyl)phenyl]-2-azaspiro[3.5]nonan-2-yl]-(3-hydroxy-3-methylcyclobutyl)methanone
CID 164710149
[3-(difluoromethyl)-3-hydroxycyclobutyl]-[(6R)-6-(3-propan-2-ylphenyl)-2-azaspiro[3.4]octan-2-yl]methanone
CID 175699521
(3-hydroxy-3-methylcyclobutyl)-[6-[(4-propan-2-ylphenyl)methyl]-2-azaspiro[3.4]octan-2-yl]methanone
CID 164710264
(3-hydroxy-3-methylcyclobutyl)-[6-[(3-methylphenyl)methyl]-2-azaspiro[3.4]octan-2-yl]methanone
CID 164710119
[7-[(5-chloro-3-methyl-2-pyridinyl)oxy]-2-azaspiro[3.5]nonan-2-yl]-(3-hydroxy-3-methylcyclobutyl)methanone
CID 164710279
[(5R,8R)-8-methyl-2-azaspiro[4.4]nonan-2-yl]-[(2S,3S)-2-(1-methylpyrazol-4-yl)oxolan-3-yl]methanone
CID 129331093

Frequently Asked Questions

What is the IUPAC name of (3-hydroxy-3-methylcyclobutyl)-[(6R)-6-(1-methylpyrazol-4-yl)-2-azaspiro[3.4]octan-2-yl]methanone?
The IUPAC name of (3-hydroxy-3-methylcyclobutyl)-[(6R)-6-(1-methylpyrazol-4-yl)-2-azaspiro[3.4]octan-2-yl]methanone (CID 175699497) is (3-hydroxy-3-methylcyclobutyl)-[(6R)-6-(1-methylpyrazol-4-yl)-2-azaspiro[3.4]octan-2-yl]methanone.
What is the SMILES notation for (3-hydroxy-3-methylcyclobutyl)-[(6R)-6-(1-methylpyrazol-4-yl)-2-azaspiro[3.4]octan-2-yl]methanone?
The canonical SMILES for (3-hydroxy-3-methylcyclobutyl)-[(6R)-6-(1-methylpyrazol-4-yl)-2-azaspiro[3.4]octan-2-yl]methanone is Cn1cc([C@@H]2CCC3(C2)CN(C(=O)C2CC(C)(O)C2)C3)cn1.
What is the InChIKey of (3-hydroxy-3-methylcyclobutyl)-[(6R)-6-(1-methylpyrazol-4-yl)-2-azaspiro[3.4]octan-2-yl]methanone?
The InChIKey is YJYCGPOXLDFZIP-VEAWUBTESA-N. The full InChI is InChI=1S/C17H25N3O2/c1-16(22)5-13(6-16)15(21)20-10-17(11-20)4-3-12(7-17)14-8-18-19(2)9-14/h8-9,12-13,22H,3-7,10-11H2,1-2H3/t12-,13?,16?/m1/s1.
What are the key properties of (3-hydroxy-3-methylcyclobutyl)-[(6R)-6-(1-methylpyrazol-4-yl)-2-azaspiro[3.4]octan-2-yl]methanone?
(3-hydroxy-3-methylcyclobutyl)-[(6R)-6-(1-methylpyrazol-4-yl)-2-azaspiro[3.4]octan-2-yl]methanone has a molecular weight of 303.41 g/mol, XLogP of 1.68, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-hydroxy-3-methylcyclobutyl)-[(6R)-6-(1-methylpyrazol-4-yl)-2-azaspiro[3.4]octan-2-yl]methanone is sourced from PubChem (CID 175699497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).