ethane;1-[[3-[[5-(2-methoxy-4-pyridinyl)-7-(1,3-oxazol-2-yl)-2,3-dihydro-1H-inden-4-yl]amino]-1H-1,2,4-triazol-5-yl]sulfinyl]-N,N-dimethylpiperidin-4-amine

C29H38N8O3S — CID 153357213

IUPACethane;1-[[3-[[5-(2-methoxy-4-pyridinyl)-7-(1,3-oxazol-2-yl)-2,3-dihydro-1H-inden-4-yl]amino]-1H-1,2,4-triazol-5-yl]sulfinyl]-N,N-dimethylpiperidin-4-amine
SMILESCC.COc1cc(-c2cc(-c3ncco3)c3c(c2Nc2n[nH]c(S(=O)N4CCC(N(C)C)CC4)n2)CCC3)ccn1
InChIInChI=1S/C27H32N8O3S.C2H6/c1-34(2)18-8-12-35(13-9-18)39(36)27-31-26(32-33-27)30-24-20-6-4-5-19(20)22(25-29-11-14-38-25)16-21(24)17-7-10-28-23(15-17)37-3;1-2/h7,10-11,14-16,18H,4-6,8-9,12-13H2,1-3H3,(H2,30,31,32,33);1-2H3
InChIKeyASXHWMGNOJADSA-UHFFFAOYSA-N
MW578.74 g/mol
LogP4.84
Rot. Bonds8

About ethane;1-[[3-[[5-(2-methoxy-4-pyridinyl)-7-(1,3-oxazol-2-yl)-2,3-dihydro-1H-inden-4-yl]amino]-1H-1,2,4-triazol-5-yl]sulfinyl]-N,N-dimethylpiperidin-4-amine

ethane;1-[[3-[[5-(2-methoxy-4-pyridinyl)-7-(1,3-oxazol-2-yl)-2,3-dihydro-1H-inden-4-yl]amino]-1H-1,2,4-triazol-5-yl]sulfinyl]-N,N-dimethylpiperidin-4-amine (PubChem CID 153357213) has the molecular formula C29H38N8O3S and a molecular weight of 578.74 g/mol. Its IUPAC name is ethane;1-[[3-[[5-(2-methoxy-4-pyridinyl)-7-(1,3-oxazol-2-yl)-2,3-dihydro-1H-inden-4-yl]amino]-1H-1,2,4-triazol-5-yl]sulfinyl]-N,N-dimethylpiperidin-4-amine.

Molecular Properties

Compound Nameethane;1-[[3-[[5-(2-methoxy-4-pyridinyl)-7-(1,3-oxazol-2-yl)-2,3-dihydro-1H-inden-4-yl]amino]-1H-1,2,4-triazol-5-yl]sulfinyl]-N,N-dimethylpiperidin-4-amine
PubChem CID153357213
Molecular FormulaC29H38N8O3S
Molecular Weight578.74 g/mol
Exact Mass578.28
IUPAC Nameethane;1-[[3-[[5-(2-methoxy-4-pyridinyl)-7-(1,3-oxazol-2-yl)-2,3-dihydro-1H-inden-4-yl]amino]-1H-1,2,4-triazol-5-yl]sulfinyl]-N,N-dimethylpiperidin-4-amine
SMILESCC.COc1cc(-c2cc(-c3ncco3)c3c(c2Nc2n[nH]c(S(=O)N4CCC(N(C)C)CC4)n2)CCC3)ccn1
InChIInChI=1S/C27H32N8O3S.C2H6/c1-34(2)18-8-12-35(13-9-18)39(36)27-31-26(32-33-27)30-24-20-6-4-5-19(20)22(25-29-11-14-38-25)16-21(24)17-7-10-28-23(15-17)37-3;1-2/h7,10-11,14-16,18H,4-6,8-9,12-13H2,1-3H3,(H2,30,31,32,33);1-2H3
InChIKeyASXHWMGNOJADSA-UHFFFAOYSA-N
XLogP4.84
TPSA125.30 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms41
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500578.74
LogP ≤ 54.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Analyze ethane;1-[[3-[[5-(2-methoxy-4-pyridinyl)-7-(1,3-oxazol-2-yl)-2,3-dihydro-1H-inden-4-yl]amino]-1H-1,2,4-triazol-5-yl]sulfinyl]-N,N-dimethylpiperidin-4-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

7-[[5-[4-(dimethylamino)piperidin-1-yl]sulfonyl-1H-1,2,4-triazol-3-yl]amino]-6-(2-methyl-4-pyridinyl)-2,3-dihydro-1H-indene-4-carbonitrile
CID 161317060
2-[(3S)-1-[[3-[[5-[2-(trideuteriomethoxy)-4-pyridinyl]-2,3-dihydro-1H-inden-4-yl]amino]-1H-1,2,4-triazol-5-yl]sulfonyl]pyrrolidin-3-yl]propan-2-ol
CID 157054177
5-[3-[(dimethylamino)methyl]pyrrolidin-1-yl]sulfonyl-N-[4-fluoro-2-(2-methoxy-4-pyridinyl)-6-propan-2-ylphenyl]-1H-1,2,4-triazol-3-amine
CID 150762948
N,N-dimethyl-1-[[3-[(5-pyridin-4-yl-2,3-dihydro-1-benzofuran-4-yl)amino]-1H-1,2,4-triazol-5-yl]sulfonyl]piperidin-4-amine
CID 148649667
1-[[3-[2-(2-methoxy-4-pyridinyl)-6-propan-2-ylphenoxy]-1H-1,2,4-triazol-5-yl]sulfonyl]-N,N-dimethylpiperidin-4-amine
CID 151069269
1-(1-cyclobutylazetidin-3-yl)sulfinyl-3-[5-(2-methoxy-4-pyridinyl)-2,3-dihydro-1H-inden-4-yl]urea
CID 137402555
1-[7-chloro-5-(2-methoxy-4-pyridinyl)-2,3-dihydro-1H-inden-4-yl]-3-(1-propan-2-ylpyrazol-3-yl)sulfinylurea
CID 142529171
N-ethyl-5-(2-methoxy-4-pyridinyl)-2,3-dihydro-1H-inden-4-amine
CID 155744646
3-(azetidin-3-ylsulfonyl)-1-[5-(2-methoxy-4-pyridinyl)-2,3-dihydro-1H-inden-4-yl]-1-propan-2-ylurea
CID 155613838
N-[5-[2-(difluoromethoxy)-4-pyridinyl]-2,3-dihydro-1-benzofuran-4-yl]-5-[(1-methyl-1,8-diazaspiro[4.5]decan-8-yl)sulfonyl]-1H-1,2,4-triazol-3-amine
CID 150624304
5-[[5-(2-methoxy-4-pyridinyl)-2,3-dihydro-1H-inden-4-yl]methyl]-1H-1,2,4-triazole-3-sulfonyl chloride
CID 153357072
sodium [7-cyclopropyl-5-(2-methoxy-4-pyridinyl)-2,3-dihydro-1H-inden-4-yl]carbamoyl-(1-cyclopropylpyrazol-3-yl)sulfonylazanide
CID 155660678

Frequently Asked Questions

What is the IUPAC name of ethane;1-[[3-[[5-(2-methoxy-4-pyridinyl)-7-(1,3-oxazol-2-yl)-2,3-dihydro-1H-inden-4-yl]amino]-1H-1,2,4-triazol-5-yl]sulfinyl]-N,N-dimethylpiperidin-4-amine?
The IUPAC name of ethane;1-[[3-[[5-(2-methoxy-4-pyridinyl)-7-(1,3-oxazol-2-yl)-2,3-dihydro-1H-inden-4-yl]amino]-1H-1,2,4-triazol-5-yl]sulfinyl]-N,N-dimethylpiperidin-4-amine (CID 153357213) is ethane;1-[[3-[[5-(2-methoxy-4-pyridinyl)-7-(1,3-oxazol-2-yl)-2,3-dihydro-1H-inden-4-yl]amino]-1H-1,2,4-triazol-5-yl]sulfinyl]-N,N-dimethylpiperidin-4-amine.
What is the SMILES notation for ethane;1-[[3-[[5-(2-methoxy-4-pyridinyl)-7-(1,3-oxazol-2-yl)-2,3-dihydro-1H-inden-4-yl]amino]-1H-1,2,4-triazol-5-yl]sulfinyl]-N,N-dimethylpiperidin-4-amine?
The canonical SMILES for ethane;1-[[3-[[5-(2-methoxy-4-pyridinyl)-7-(1,3-oxazol-2-yl)-2,3-dihydro-1H-inden-4-yl]amino]-1H-1,2,4-triazol-5-yl]sulfinyl]-N,N-dimethylpiperidin-4-amine is CC.COc1cc(-c2cc(-c3ncco3)c3c(c2Nc2n[nH]c(S(=O)N4CCC(N(C)C)CC4)n2)CCC3)ccn1.
What is the InChIKey of ethane;1-[[3-[[5-(2-methoxy-4-pyridinyl)-7-(1,3-oxazol-2-yl)-2,3-dihydro-1H-inden-4-yl]amino]-1H-1,2,4-triazol-5-yl]sulfinyl]-N,N-dimethylpiperidin-4-amine?
The InChIKey is ASXHWMGNOJADSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H32N8O3S.C2H6/c1-34(2)18-8-12-35(13-9-18)39(36)27-31-26(32-33-27)30-24-20-6-4-5-19(20)22(25-29-11-14-38-25)16-21(24)17-7-10-28-23(15-17)37-3;1-2/h7,10-11,14-16,18H,4-6,8-9,12-13H2,1-3H3,(H2,30,31,32,33);1-2H3.
What are the key properties of ethane;1-[[3-[[5-(2-methoxy-4-pyridinyl)-7-(1,3-oxazol-2-yl)-2,3-dihydro-1H-inden-4-yl]amino]-1H-1,2,4-triazol-5-yl]sulfinyl]-N,N-dimethylpiperidin-4-amine?
ethane;1-[[3-[[5-(2-methoxy-4-pyridinyl)-7-(1,3-oxazol-2-yl)-2,3-dihydro-1H-inden-4-yl]amino]-1H-1,2,4-triazol-5-yl]sulfinyl]-N,N-dimethylpiperidin-4-amine has a molecular weight of 578.74 g/mol, XLogP of 4.84, 8 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;1-[[3-[[5-(2-methoxy-4-pyridinyl)-7-(1,3-oxazol-2-yl)-2,3-dihydro-1H-inden-4-yl]amino]-1H-1,2,4-triazol-5-yl]sulfinyl]-N,N-dimethylpiperidin-4-amine is sourced from PubChem (CID 153357213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).