[(5R)-1-ethyl-5-[(5-methylfuran-2-yl)methylamino]-4,5,6,7-tetrahydroindazol-3-yl]-thiomorpholin-4-ylmethanone

C20H28N4O2S — CID 26140415

IUPAC[(5R)-1-ethyl-5-[(5-methylfuran-2-yl)methylamino]-4,5,6,7-tetrahydroindazol-3-yl]-thiomorpholin-4-ylmethanone
SMILESCCn1nc(C(=O)N2CCSCC2)c2c1CC[C@@H](NCc1ccc(C)o1)C2
InChIInChI=1S/C20H28N4O2S/c1-3-24-18-7-5-15(21-13-16-6-4-14(2)26-16)12-17(18)19(22-24)20(25)23-8-10-27-11-9-23/h4,6,15,21H,3,5,7-13H2,1-2H3/t15-/m1/s1
InChIKeyHSXGRYDWRTXMSZ-OAHLLOKOSA-N
MW388.54 g/mol
LogP2.64
Rot. Bonds5

About [(5R)-1-ethyl-5-[(5-methylfuran-2-yl)methylamino]-4,5,6,7-tetrahydroindazol-3-yl]-thiomorpholin-4-ylmethanone

[(5R)-1-ethyl-5-[(5-methylfuran-2-yl)methylamino]-4,5,6,7-tetrahydroindazol-3-yl]-thiomorpholin-4-ylmethanone (PubChem CID 26140415) has the molecular formula C20H28N4O2S and a molecular weight of 388.54 g/mol. Its IUPAC name is [(5R)-1-ethyl-5-[(5-methylfuran-2-yl)methylamino]-4,5,6,7-tetrahydroindazol-3-yl]-thiomorpholin-4-ylmethanone.

Molecular Properties

Compound Name[(5R)-1-ethyl-5-[(5-methylfuran-2-yl)methylamino]-4,5,6,7-tetrahydroindazol-3-yl]-thiomorpholin-4-ylmethanone
PubChem CID26140415
Molecular FormulaC20H28N4O2S
Molecular Weight388.54 g/mol
Exact Mass388.19
IUPAC Name[(5R)-1-ethyl-5-[(5-methylfuran-2-yl)methylamino]-4,5,6,7-tetrahydroindazol-3-yl]-thiomorpholin-4-ylmethanone
SMILESCCn1nc(C(=O)N2CCSCC2)c2c1CC[C@@H](NCc1ccc(C)o1)C2
InChIInChI=1S/C20H28N4O2S/c1-3-24-18-7-5-15(21-13-16-6-4-14(2)26-16)12-17(18)19(22-24)20(25)23-8-10-27-11-9-23/h4,6,15,21H,3,5,7-13H2,1-2H3/t15-/m1/s1
InChIKeyHSXGRYDWRTXMSZ-OAHLLOKOSA-N
XLogP2.64
TPSA63.30 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.54
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze [(5R)-1-ethyl-5-[(5-methylfuran-2-yl)methylamino]-4,5,6,7-tetrahydroindazol-3-yl]-thiomorpholin-4-ylmethanone with MolForge

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Related Compounds

[1-ethyl-5-(furan-2-ylmethylamino)-4,5,6,7-tetrahydroindazol-3-yl]-thiomorpholin-4-ylmethanone
CID 45164963
[(5S)-1-ethyl-5-[(3-fluorophenyl)methylamino]-4,5,6,7-tetrahydroindazol-3-yl]-thiomorpholin-4-ylmethanone
CID 26145167
azepan-1-yl-[1-ethyl-5-(pyridin-4-ylmethylamino)-4,5,6,7-tetrahydroindazol-3-yl]methanone
CID 45162740
[1-ethyl-5-[(4-fluorophenyl)methylamino]-4,5,6,7-tetrahydroindazol-3-yl]-morpholin-4-ylmethanone
CID 45160528
[1-ethyl-5-(2-thiophen-2-ylethylamino)-4,5,6,7-tetrahydroindazol-3-yl]-pyrrolidin-1-ylmethanone
CID 45164738
[(5R)-1-ethyl-5-(2-thiophen-2-ylethylamino)-4,5,6,7-tetrahydroindazol-3-yl]-piperidin-1-ylmethanone
CID 26142283
[1-ethyl-5-(1,3-thiazol-2-ylmethylamino)-4,5,6,7-tetrahydroindazol-3-yl]-piperidin-1-ylmethanone
CID 45163645
[(5S)-1-ethyl-5-[(5-phenyl-1,2-oxazol-3-yl)methylamino]-4,5,6,7-tetrahydroindazol-3-yl]-pyrrolidin-1-ylmethanone
CID 26227307
1-ethyl-5-[(3-methyl-1-benzofuran-2-yl)methylamino]-4,5,6,7-tetrahydroindazole-3-carboxylic acid
CID 56708427
morpholin-4-yl-[(5S)-1-propyl-5-(thiophen-2-ylmethylamino)-4,5,6,7-tetrahydroindazol-3-yl]methanone
CID 26231913
[5-(prop-2-enylamino)-1-propyl-4,5,6,7-tetrahydroindazol-3-yl]-thiomorpholin-4-ylmethanone
CID 45161871
[1-ethyl-5-[(2-fluorophenyl)methylamino]-4,5,6,7-tetrahydroindazol-3-yl]-(4-methylpiperazin-1-yl)methanone
CID 45161612

Frequently Asked Questions

What is the IUPAC name of [(5R)-1-ethyl-5-[(5-methylfuran-2-yl)methylamino]-4,5,6,7-tetrahydroindazol-3-yl]-thiomorpholin-4-ylmethanone?
The IUPAC name of [(5R)-1-ethyl-5-[(5-methylfuran-2-yl)methylamino]-4,5,6,7-tetrahydroindazol-3-yl]-thiomorpholin-4-ylmethanone (CID 26140415) is [(5R)-1-ethyl-5-[(5-methylfuran-2-yl)methylamino]-4,5,6,7-tetrahydroindazol-3-yl]-thiomorpholin-4-ylmethanone.
What is the SMILES notation for [(5R)-1-ethyl-5-[(5-methylfuran-2-yl)methylamino]-4,5,6,7-tetrahydroindazol-3-yl]-thiomorpholin-4-ylmethanone?
The canonical SMILES for [(5R)-1-ethyl-5-[(5-methylfuran-2-yl)methylamino]-4,5,6,7-tetrahydroindazol-3-yl]-thiomorpholin-4-ylmethanone is CCn1nc(C(=O)N2CCSCC2)c2c1CC[C@@H](NCc1ccc(C)o1)C2.
What is the InChIKey of [(5R)-1-ethyl-5-[(5-methylfuran-2-yl)methylamino]-4,5,6,7-tetrahydroindazol-3-yl]-thiomorpholin-4-ylmethanone?
The InChIKey is HSXGRYDWRTXMSZ-OAHLLOKOSA-N. The full InChI is InChI=1S/C20H28N4O2S/c1-3-24-18-7-5-15(21-13-16-6-4-14(2)26-16)12-17(18)19(22-24)20(25)23-8-10-27-11-9-23/h4,6,15,21H,3,5,7-13H2,1-2H3/t15-/m1/s1.
What are the key properties of [(5R)-1-ethyl-5-[(5-methylfuran-2-yl)methylamino]-4,5,6,7-tetrahydroindazol-3-yl]-thiomorpholin-4-ylmethanone?
[(5R)-1-ethyl-5-[(5-methylfuran-2-yl)methylamino]-4,5,6,7-tetrahydroindazol-3-yl]-thiomorpholin-4-ylmethanone has a molecular weight of 388.54 g/mol, XLogP of 2.64, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(5R)-1-ethyl-5-[(5-methylfuran-2-yl)methylamino]-4,5,6,7-tetrahydroindazol-3-yl]-thiomorpholin-4-ylmethanone is sourced from PubChem (CID 26140415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).