1-[5-(4-ethyl-2-pyridinyl)pyrimidin-2-yl]-6-methylsulfinylspiro[2H-indole-3,1'-cyclopropane]

C22H22N4OS — CID 129309271

IUPAC1-[5-(4-ethyl-2-pyridinyl)pyrimidin-2-yl]-6-methylsulfinylspiro[2H-indole-3,1'-cyclopropane]
SMILESCCc1ccnc(-c2cnc(N3CC4(CC4)c4ccc(S(C)=O)cc43)nc2)c1
InChIInChI=1S/C22H22N4OS/c1-3-15-6-9-23-19(10-15)16-12-24-21(25-13-16)26-14-22(7-8-22)18-5-4-17(28(2)27)11-20(18)26/h4-6,9-13H,3,7-8,14H2,1-2H3
InChIKeyBPWKXDCWGVDNPP-UHFFFAOYSA-N
MW390.51 g/mol
LogP4.02
Rot. Bonds4

About 1-[5-(4-ethyl-2-pyridinyl)pyrimidin-2-yl]-6-methylsulfinylspiro[2H-indole-3,1'-cyclopropane]

1-[5-(4-ethyl-2-pyridinyl)pyrimidin-2-yl]-6-methylsulfinylspiro[2H-indole-3,1'-cyclopropane] (PubChem CID 129309271) has the molecular formula C22H22N4OS and a molecular weight of 390.51 g/mol. Its IUPAC name is 1-[5-(4-ethyl-2-pyridinyl)pyrimidin-2-yl]-6-methylsulfinylspiro[2H-indole-3,1'-cyclopropane].

Molecular Properties

Compound Name1-[5-(4-ethyl-2-pyridinyl)pyrimidin-2-yl]-6-methylsulfinylspiro[2H-indole-3,1'-cyclopropane]
PubChem CID129309271
Molecular FormulaC22H22N4OS
Molecular Weight390.51 g/mol
Exact Mass390.15
IUPAC Name1-[5-(4-ethyl-2-pyridinyl)pyrimidin-2-yl]-6-methylsulfinylspiro[2H-indole-3,1'-cyclopropane]
SMILESCCc1ccnc(-c2cnc(N3CC4(CC4)c4ccc(S(C)=O)cc43)nc2)c1
InChIInChI=1S/C22H22N4OS/c1-3-15-6-9-23-19(10-15)16-12-24-21(25-13-16)26-14-22(7-8-22)18-5-4-17(28(2)27)11-20(18)26/h4-6,9-13H,3,7-8,14H2,1-2H3
InChIKeyBPWKXDCWGVDNPP-UHFFFAOYSA-N
XLogP4.02
TPSA58.98 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.51
LogP ≤ 54.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 1-[5-(4-ethyl-2-pyridinyl)pyrimidin-2-yl]-6-methylsulfinylspiro[2H-indole-3,1'-cyclopropane] 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
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-cyclopropyl-2-pyridinyl)pyrimidin-2-yl]-6-ethylsulfinylspiro[2H-indole-3,3'-oxetane]
CID 129295447
1-[5-(4-cyclopropyl-2-pyridinyl)pyrimidin-2-yl]-6-ethylsulfanylspiro[2H-indole-3,1'-cyclopropane]
CID 129309218
2-[2-[2-[6-(morpholine-4-carbonyl)spiro[2H-indole-3,1'-cyclopropane]-1-yl]pyrimidin-5-yl]-4-pyridinyl]acetamide
CID 175044125
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-(dimethylamino)-2-pyridinyl]pyrimidin-2-yl]-N,N-dimethylspiro[2H-indole-3,1'-cyclopropane]-6-carboxamide
CID 118659927
2-[2-[2-(6-dimethylphosphorylspiro[2H-indole-3,1'-cyclopropane]-1-yl)pyrimidin-5-yl]-4-pyridinyl]propan-2-ol
CID 129309332
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
[1-[5-[4-(dimethylamino)-2-pyridinyl]pyrimidin-2-yl]spiro[2H-indole-3,1'-cyclopropane]-6-yl]-pyrrolidin-1-ylmethanone
CID 118659756
N-[2-[2-[6-(morpholine-4-carbonyl)spiro[2H-indole-3,1'-cyclopropane]-1-yl]pyrimidin-5-yl]-4-pyridinyl]acetamide
CID 118660029
[1-[5-(4-amino-2-pyridinyl)pyrimidin-2-yl]spiro[2H-indole-3,1'-cyclopropane]-6-yl]-morpholin-4-ylmethanone
CID 118659803

Frequently Asked Questions

What is the IUPAC name of 1-[5-(4-ethyl-2-pyridinyl)pyrimidin-2-yl]-6-methylsulfinylspiro[2H-indole-3,1'-cyclopropane]?
The IUPAC name of 1-[5-(4-ethyl-2-pyridinyl)pyrimidin-2-yl]-6-methylsulfinylspiro[2H-indole-3,1'-cyclopropane] (CID 129309271) is 1-[5-(4-ethyl-2-pyridinyl)pyrimidin-2-yl]-6-methylsulfinylspiro[2H-indole-3,1'-cyclopropane].
What is the SMILES notation for 1-[5-(4-ethyl-2-pyridinyl)pyrimidin-2-yl]-6-methylsulfinylspiro[2H-indole-3,1'-cyclopropane]?
The canonical SMILES for 1-[5-(4-ethyl-2-pyridinyl)pyrimidin-2-yl]-6-methylsulfinylspiro[2H-indole-3,1'-cyclopropane] is CCc1ccnc(-c2cnc(N3CC4(CC4)c4ccc(S(C)=O)cc43)nc2)c1.
What is the InChIKey of 1-[5-(4-ethyl-2-pyridinyl)pyrimidin-2-yl]-6-methylsulfinylspiro[2H-indole-3,1'-cyclopropane]?
The InChIKey is BPWKXDCWGVDNPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N4OS/c1-3-15-6-9-23-19(10-15)16-12-24-21(25-13-16)26-14-22(7-8-22)18-5-4-17(28(2)27)11-20(18)26/h4-6,9-13H,3,7-8,14H2,1-2H3.
What are the key properties of 1-[5-(4-ethyl-2-pyridinyl)pyrimidin-2-yl]-6-methylsulfinylspiro[2H-indole-3,1'-cyclopropane]?
1-[5-(4-ethyl-2-pyridinyl)pyrimidin-2-yl]-6-methylsulfinylspiro[2H-indole-3,1'-cyclopropane] has a molecular weight of 390.51 g/mol, XLogP of 4.02, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(4-ethyl-2-pyridinyl)pyrimidin-2-yl]-6-methylsulfinylspiro[2H-indole-3,1'-cyclopropane] is sourced from PubChem (CID 129309271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).