3-[1-[5-(4-methyl-2-pyridinyl)pyrimidin-2-yl]spiro[2H-indole-3,3'-oxetane]-6-yl]sulfonylpropan-1-ol

C23H24N4O4S — CID 129295604

IUPAC3-[1-[5-(4-methyl-2-pyridinyl)pyrimidin-2-yl]spiro[2H-indole-3,3'-oxetane]-6-yl]sulfonylpropan-1-ol
SMILESCc1ccnc(-c2cnc(N3CC4(COC4)c4ccc(S(=O)(=O)CCCO)cc43)nc2)c1
InChIInChI=1S/C23H24N4O4S/c1-16-5-6-24-20(9-16)17-11-25-22(26-12-17)27-13-23(14-31-15-23)19-4-3-18(10-21(19)27)32(29,30)8-2-7-28/h3-6,9-12,28H,2,7-8,13-15H2,1H3
InChIKeyLLOKXHMOFHZIMD-UHFFFAOYSA-N
MW452.54 g/mol
LogP2.42
Rot. Bonds6

About 3-[1-[5-(4-methyl-2-pyridinyl)pyrimidin-2-yl]spiro[2H-indole-3,3'-oxetane]-6-yl]sulfonylpropan-1-ol

3-[1-[5-(4-methyl-2-pyridinyl)pyrimidin-2-yl]spiro[2H-indole-3,3'-oxetane]-6-yl]sulfonylpropan-1-ol (PubChem CID 129295604) has the molecular formula C23H24N4O4S and a molecular weight of 452.54 g/mol. Its IUPAC name is 3-[1-[5-(4-methyl-2-pyridinyl)pyrimidin-2-yl]spiro[2H-indole-3,3'-oxetane]-6-yl]sulfonylpropan-1-ol.

Molecular Properties

Compound Name3-[1-[5-(4-methyl-2-pyridinyl)pyrimidin-2-yl]spiro[2H-indole-3,3'-oxetane]-6-yl]sulfonylpropan-1-ol
PubChem CID129295604
Molecular FormulaC23H24N4O4S
Molecular Weight452.54 g/mol
Exact Mass452.15
IUPAC Name3-[1-[5-(4-methyl-2-pyridinyl)pyrimidin-2-yl]spiro[2H-indole-3,3'-oxetane]-6-yl]sulfonylpropan-1-ol
SMILESCc1ccnc(-c2cnc(N3CC4(COC4)c4ccc(S(=O)(=O)CCCO)cc43)nc2)c1
InChIInChI=1S/C23H24N4O4S/c1-16-5-6-24-20(9-16)17-11-25-22(26-12-17)27-13-23(14-31-15-23)19-4-3-18(10-21(19)27)32(29,30)8-2-7-28/h3-6,9-12,28H,2,7-8,13-15H2,1H3
InChIKeyLLOKXHMOFHZIMD-UHFFFAOYSA-N
XLogP2.42
TPSA105.51 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.54
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

2-[1-[5-(4-methyl-2-pyridinyl)pyrimidin-2-yl]spiro[2H-indole-3,3'-oxetane]-6-yl]sulfonylethanol
CID 129282272
1-[5-(4-methyl-2-pyridinyl)pyrimidin-2-yl]spiro[2H-indole-3,3'-oxetane]-6-carboxylic acid
CID 129282383
N-(2-hydroxyethyl)-N-methyl-1-[5-(4-methyl-2-pyridinyl)pyrimidin-2-yl]spiro[2H-indole-3,3'-oxetane]-6-carboxamide
CID 129282474
2-[2-[2-[6-[(S)-3-hydroxypropylsulfinyl]spiro[2H-indole-3,3'-oxetane]-1-yl]pyrimidin-5-yl]-4-pyridinyl]propan-2-ol
CID 129295522
1-[5-(4-cyclopropyl-2-pyridinyl)pyrimidin-2-yl]-6-ethylsulfinylspiro[2H-indole-3,3'-oxetane]
CID 129295447
[1-[5-(2-fluoro-5-methylphenyl)pyrimidin-2-yl]spiro[2H-indole-3,3'-oxetane]-6-yl]-morpholin-4-ylmethanone
CID 129282314
2-[2-[2-(6-dimethylphosphorylspiro[2H-indole-3,1'-cyclopropane]-1-yl)pyrimidin-5-yl]-4-pyridinyl]propan-2-ol
CID 129309332
1-[5-(4-ethyl-2-pyridinyl)pyrimidin-2-yl]-6-methylsulfinylspiro[2H-indole-3,1'-cyclopropane]
CID 129309271
2-hydroxy-N-[[1-[5-[4-(2-hydroxypropan-2-yl)-2-pyridinyl]pyrimidin-2-yl]spiro[2H-indole-3,1'-cyclopropane]-6-yl]methyl]-N-methylacetamide
CID 129309244
N-(2-hydroxyethyl)-N-methyl-1-[5-(4-methylsulfinyl-2-pyridinyl)pyrimidin-2-yl]spiro[2H-indole-3,1'-cyclopropane]-6-carboxamide
CID 118660073
[1-[5-(4-amino-2-pyridinyl)pyrimidin-2-yl]spiro[2H-indole-3,1'-cyclopropane]-6-yl]-morpholin-4-ylmethanone
CID 118659803
N-(2-hydroxyethyl)-N-methyl-1-[5-(4-pyrrolidin-1-yl-2-pyridinyl)pyrimidin-2-yl]spiro[2H-indole-3,1'-cyclopropane]-6-carboxamide
CID 118659985

Frequently Asked Questions

What is the IUPAC name of 3-[1-[5-(4-methyl-2-pyridinyl)pyrimidin-2-yl]spiro[2H-indole-3,3'-oxetane]-6-yl]sulfonylpropan-1-ol?
The IUPAC name of 3-[1-[5-(4-methyl-2-pyridinyl)pyrimidin-2-yl]spiro[2H-indole-3,3'-oxetane]-6-yl]sulfonylpropan-1-ol (CID 129295604) is 3-[1-[5-(4-methyl-2-pyridinyl)pyrimidin-2-yl]spiro[2H-indole-3,3'-oxetane]-6-yl]sulfonylpropan-1-ol.
What is the SMILES notation for 3-[1-[5-(4-methyl-2-pyridinyl)pyrimidin-2-yl]spiro[2H-indole-3,3'-oxetane]-6-yl]sulfonylpropan-1-ol?
The canonical SMILES for 3-[1-[5-(4-methyl-2-pyridinyl)pyrimidin-2-yl]spiro[2H-indole-3,3'-oxetane]-6-yl]sulfonylpropan-1-ol is Cc1ccnc(-c2cnc(N3CC4(COC4)c4ccc(S(=O)(=O)CCCO)cc43)nc2)c1.
What is the InChIKey of 3-[1-[5-(4-methyl-2-pyridinyl)pyrimidin-2-yl]spiro[2H-indole-3,3'-oxetane]-6-yl]sulfonylpropan-1-ol?
The InChIKey is LLOKXHMOFHZIMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N4O4S/c1-16-5-6-24-20(9-16)17-11-25-22(26-12-17)27-13-23(14-31-15-23)19-4-3-18(10-21(19)27)32(29,30)8-2-7-28/h3-6,9-12,28H,2,7-8,13-15H2,1H3.
What are the key properties of 3-[1-[5-(4-methyl-2-pyridinyl)pyrimidin-2-yl]spiro[2H-indole-3,3'-oxetane]-6-yl]sulfonylpropan-1-ol?
3-[1-[5-(4-methyl-2-pyridinyl)pyrimidin-2-yl]spiro[2H-indole-3,3'-oxetane]-6-yl]sulfonylpropan-1-ol has a molecular weight of 452.54 g/mol, XLogP of 2.42, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-[5-(4-methyl-2-pyridinyl)pyrimidin-2-yl]spiro[2H-indole-3,3'-oxetane]-6-yl]sulfonylpropan-1-ol is sourced from PubChem (CID 129295604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).