1-[5-(4-cyclopropyl-2-pyridinyl)pyrimidin-2-yl]-6-ethylsulfinylspiro[2H-indole-3,3'-oxetane]

C24H24N4O2S — CID 129295447

IUPAC1-[5-(4-cyclopropyl-2-pyridinyl)pyrimidin-2-yl]-6-ethylsulfinylspiro[2H-indole-3,3'-oxetane]
SMILESCCS(=O)c1ccc2c(c1)N(c1ncc(-c3cc(C4CC4)ccn3)cn1)CC21COC1
InChIInChI=1S/C24H24N4O2S/c1-2-31(29)19-5-6-20-22(10-19)28(13-24(20)14-30-15-24)23-26-11-18(12-27-23)21-9-17(7-8-25-21)16-3-4-16/h5-12,16H,2-4,13-15H2,1H3
InChIKeyOXZHYRVNUYZHDA-UHFFFAOYSA-N
MW432.55 g/mol
LogP3.96
Rot. Bonds5

About 1-[5-(4-cyclopropyl-2-pyridinyl)pyrimidin-2-yl]-6-ethylsulfinylspiro[2H-indole-3,3'-oxetane]

1-[5-(4-cyclopropyl-2-pyridinyl)pyrimidin-2-yl]-6-ethylsulfinylspiro[2H-indole-3,3'-oxetane] (PubChem CID 129295447) has the molecular formula C24H24N4O2S and a molecular weight of 432.55 g/mol. Its IUPAC name is 1-[5-(4-cyclopropyl-2-pyridinyl)pyrimidin-2-yl]-6-ethylsulfinylspiro[2H-indole-3,3'-oxetane].

Molecular Properties

Compound Name1-[5-(4-cyclopropyl-2-pyridinyl)pyrimidin-2-yl]-6-ethylsulfinylspiro[2H-indole-3,3'-oxetane]
PubChem CID129295447
Molecular FormulaC24H24N4O2S
Molecular Weight432.55 g/mol
Exact Mass432.16
IUPAC Name1-[5-(4-cyclopropyl-2-pyridinyl)pyrimidin-2-yl]-6-ethylsulfinylspiro[2H-indole-3,3'-oxetane]
SMILESCCS(=O)c1ccc2c(c1)N(c1ncc(-c3cc(C4CC4)ccn3)cn1)CC21COC1
InChIInChI=1S/C24H24N4O2S/c1-2-31(29)19-5-6-20-22(10-19)28(13-24(20)14-30-15-24)23-26-11-18(12-27-23)21-9-17(7-8-25-21)16-3-4-16/h5-12,16H,2-4,13-15H2,1H3
InChIKeyOXZHYRVNUYZHDA-UHFFFAOYSA-N
XLogP3.96
TPSA68.21 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.55
LogP ≤ 53.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 1-[5-(4-cyclopropyl-2-pyridinyl)pyrimidin-2-yl]-6-ethylsulfinylspiro[2H-indole-3,3'-oxetane] with MolForge

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Related Compounds

2-[2-[6-[(R)-ethylsulfinyl]spiro[2H-indole-3,1'-cyclopropane]-1-yl]pyrimidin-5-yl]pyridine-4-carbonitrile
CID 129309309
1-[5-(4-cyclopropyl-2-pyridinyl)pyrimidin-2-yl]-6-ethylsulfanylspiro[2H-indole-3,1'-cyclopropane]
CID 129309218
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
2-[3-[2-(6-ethylsulfinylspiro[2H-indole-3,3'-oxetane]-1-yl)pyrimidin-5-yl]-4-fluorophenyl]propan-2-ol
CID 129282330
[1-[5-(4-cyclopropyl-2-pyridinyl)pyrimidin-2-yl]spiro[2H-indole-3,1'-cyclopropane]-6-yl]-morpholin-4-ylmethanone
CID 118660008
1-[5-(4-ethyl-2-pyridinyl)pyrimidin-2-yl]-6-methylsulfinylspiro[2H-indole-3,1'-cyclopropane]
CID 129309271
1-[5-(4-methyl-2-pyridinyl)pyrimidin-2-yl]spiro[2H-indole-3,3'-oxetane]-6-carboxylic acid
CID 129282383
2-[1-[5-(4-methyl-2-pyridinyl)pyrimidin-2-yl]spiro[2H-indole-3,3'-oxetane]-6-yl]sulfonylethanol
CID 129282272
(E)-3-ethenyl-5-[2-(6-ethylsulfinylspiro[2H-indole-3,3'-oxetane]-1-yl)pyrimidin-5-yl]-5-methyliminopent-3-en-2-ol
CID 145338054
3-[1-[5-(4-methyl-2-pyridinyl)pyrimidin-2-yl]spiro[2H-indole-3,3'-oxetane]-6-yl]sulfonylpropan-1-ol
CID 129295604
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-[1-(5-pyridin-2-ylpyrimidin-2-yl)spiro[2H-indole-3,3'-oxetane]-6-yl]sulfanylethanol
CID 129295576

Frequently Asked Questions

What is the IUPAC name of 1-[5-(4-cyclopropyl-2-pyridinyl)pyrimidin-2-yl]-6-ethylsulfinylspiro[2H-indole-3,3'-oxetane]?
The IUPAC name of 1-[5-(4-cyclopropyl-2-pyridinyl)pyrimidin-2-yl]-6-ethylsulfinylspiro[2H-indole-3,3'-oxetane] (CID 129295447) is 1-[5-(4-cyclopropyl-2-pyridinyl)pyrimidin-2-yl]-6-ethylsulfinylspiro[2H-indole-3,3'-oxetane].
What is the SMILES notation for 1-[5-(4-cyclopropyl-2-pyridinyl)pyrimidin-2-yl]-6-ethylsulfinylspiro[2H-indole-3,3'-oxetane]?
The canonical SMILES for 1-[5-(4-cyclopropyl-2-pyridinyl)pyrimidin-2-yl]-6-ethylsulfinylspiro[2H-indole-3,3'-oxetane] is CCS(=O)c1ccc2c(c1)N(c1ncc(-c3cc(C4CC4)ccn3)cn1)CC21COC1.
What is the InChIKey of 1-[5-(4-cyclopropyl-2-pyridinyl)pyrimidin-2-yl]-6-ethylsulfinylspiro[2H-indole-3,3'-oxetane]?
The InChIKey is OXZHYRVNUYZHDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N4O2S/c1-2-31(29)19-5-6-20-22(10-19)28(13-24(20)14-30-15-24)23-26-11-18(12-27-23)21-9-17(7-8-25-21)16-3-4-16/h5-12,16H,2-4,13-15H2,1H3.
What are the key properties of 1-[5-(4-cyclopropyl-2-pyridinyl)pyrimidin-2-yl]-6-ethylsulfinylspiro[2H-indole-3,3'-oxetane]?
1-[5-(4-cyclopropyl-2-pyridinyl)pyrimidin-2-yl]-6-ethylsulfinylspiro[2H-indole-3,3'-oxetane] has a molecular weight of 432.55 g/mol, XLogP of 3.96, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(4-cyclopropyl-2-pyridinyl)pyrimidin-2-yl]-6-ethylsulfinylspiro[2H-indole-3,3'-oxetane] is sourced from PubChem (CID 129295447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).