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

C24H24N4S — CID 129309218

IUPAC1-[5-(4-cyclopropyl-2-pyridinyl)pyrimidin-2-yl]-6-ethylsulfanylspiro[2H-indole-3,1'-cyclopropane]
SMILESCCSc1ccc2c(c1)N(c1ncc(-c3cc(C4CC4)ccn3)cn1)CC21CC1
InChIInChI=1S/C24H24N4S/c1-2-29-19-5-6-20-22(12-19)28(15-24(20)8-9-24)23-26-13-18(14-27-23)21-11-17(7-10-25-21)16-3-4-16/h5-7,10-14,16H,2-4,8-9,15H2,1H3
InChIKeySMDPLNAWGMMPBL-UHFFFAOYSA-N
MW400.55 g/mol
LogP5.71
Rot. Bonds5

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

1-[5-(4-cyclopropyl-2-pyridinyl)pyrimidin-2-yl]-6-ethylsulfanylspiro[2H-indole-3,1'-cyclopropane] (PubChem CID 129309218) has the molecular formula C24H24N4S and a molecular weight of 400.55 g/mol. Its IUPAC name is 1-[5-(4-cyclopropyl-2-pyridinyl)pyrimidin-2-yl]-6-ethylsulfanylspiro[2H-indole-3,1'-cyclopropane].

Molecular Properties

Compound Name1-[5-(4-cyclopropyl-2-pyridinyl)pyrimidin-2-yl]-6-ethylsulfanylspiro[2H-indole-3,1'-cyclopropane]
PubChem CID129309218
Molecular FormulaC24H24N4S
Molecular Weight400.55 g/mol
Exact Mass400.17
IUPAC Name1-[5-(4-cyclopropyl-2-pyridinyl)pyrimidin-2-yl]-6-ethylsulfanylspiro[2H-indole-3,1'-cyclopropane]
SMILESCCSc1ccc2c(c1)N(c1ncc(-c3cc(C4CC4)ccn3)cn1)CC21CC1
InChIInChI=1S/C24H24N4S/c1-2-29-19-5-6-20-22(12-19)28(15-24(20)8-9-24)23-26-13-18(14-27-23)21-11-17(7-10-25-21)16-3-4-16/h5-7,10-14,16H,2-4,8-9,15H2,1H3
InChIKeySMDPLNAWGMMPBL-UHFFFAOYSA-N
XLogP5.71
TPSA41.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500400.55
LogP ≤ 55.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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

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Related Compounds

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]spiro[2H-indole-3,1'-cyclopropane]-6-yl]-morpholin-4-ylmethanone
CID 118660008
1-[3-[2-(6-ethylsulfanylspiro[2H-indole-3,1'-cyclopropane]-1-yl)pyrimidin-5-yl]-4-fluorophenyl]ethanol
CID 129309447
1-[5-(4-ethyl-2-pyridinyl)pyrimidin-2-yl]-6-methylsulfinylspiro[2H-indole-3,1'-cyclopropane]
CID 129309271
2-[2-[6-[(R)-ethylsulfinyl]spiro[2H-indole-3,1'-cyclopropane]-1-yl]pyrimidin-5-yl]pyridine-4-carbonitrile
CID 129309309
2-[1-(5-pyridin-2-ylpyrimidin-2-yl)spiro[2H-indole-3,3'-oxetane]-6-yl]sulfanylethanol
CID 129295576
1-[5-[4-(dimethylamino)-2-pyridinyl]pyrimidin-2-yl]-N,N-dimethylspiro[2H-indole-3,1'-cyclopropane]-6-carboxamide
CID 118659927
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-(2-fluorophenyl)pyrimidin-2-yl]-6-propan-2-ylsulfanylspiro[2H-indole-3,1'-cyclopropane]
CID 129309399
[1-[5-[4-(dimethylamino)-2-pyridinyl]pyrimidin-2-yl]spiro[2H-indole-3,1'-cyclopropane]-6-yl]-pyrrolidin-1-ylmethanone
CID 118659756
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
1-[5-(4-methyl-2-pyridinyl)pyrimidin-2-yl]spiro[2H-indole-3,3'-oxetane]-6-carboxylic acid
CID 129282383

Frequently Asked Questions

What is the IUPAC name of 1-[5-(4-cyclopropyl-2-pyridinyl)pyrimidin-2-yl]-6-ethylsulfanylspiro[2H-indole-3,1'-cyclopropane]?
The IUPAC name of 1-[5-(4-cyclopropyl-2-pyridinyl)pyrimidin-2-yl]-6-ethylsulfanylspiro[2H-indole-3,1'-cyclopropane] (CID 129309218) is 1-[5-(4-cyclopropyl-2-pyridinyl)pyrimidin-2-yl]-6-ethylsulfanylspiro[2H-indole-3,1'-cyclopropane].
What is the SMILES notation for 1-[5-(4-cyclopropyl-2-pyridinyl)pyrimidin-2-yl]-6-ethylsulfanylspiro[2H-indole-3,1'-cyclopropane]?
The canonical SMILES for 1-[5-(4-cyclopropyl-2-pyridinyl)pyrimidin-2-yl]-6-ethylsulfanylspiro[2H-indole-3,1'-cyclopropane] is CCSc1ccc2c(c1)N(c1ncc(-c3cc(C4CC4)ccn3)cn1)CC21CC1.
What is the InChIKey of 1-[5-(4-cyclopropyl-2-pyridinyl)pyrimidin-2-yl]-6-ethylsulfanylspiro[2H-indole-3,1'-cyclopropane]?
The InChIKey is SMDPLNAWGMMPBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N4S/c1-2-29-19-5-6-20-22(12-19)28(15-24(20)8-9-24)23-26-13-18(14-27-23)21-11-17(7-10-25-21)16-3-4-16/h5-7,10-14,16H,2-4,8-9,15H2,1H3.
What are the key properties of 1-[5-(4-cyclopropyl-2-pyridinyl)pyrimidin-2-yl]-6-ethylsulfanylspiro[2H-indole-3,1'-cyclopropane]?
1-[5-(4-cyclopropyl-2-pyridinyl)pyrimidin-2-yl]-6-ethylsulfanylspiro[2H-indole-3,1'-cyclopropane] has a molecular weight of 400.55 g/mol, XLogP of 5.71, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(4-cyclopropyl-2-pyridinyl)pyrimidin-2-yl]-6-ethylsulfanylspiro[2H-indole-3,1'-cyclopropane] is sourced from PubChem (CID 129309218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).