1-ethyl-N-(furan-3-ylmethyl)-N-methyl-5-thiomorpholin-4-yl-4,5,6,7-tetrahydroindazole-3-carboxamide

C20H28N4O2S — CID 45165490

IUPAC1-ethyl-N-(furan-3-ylmethyl)-N-methyl-5-thiomorpholin-4-yl-4,5,6,7-tetrahydroindazole-3-carboxamide
SMILESCCn1nc(C(=O)N(C)Cc2ccoc2)c2c1CCC(N1CCSCC1)C2
InChIInChI=1S/C20H28N4O2S/c1-3-24-18-5-4-16(23-7-10-27-11-8-23)12-17(18)19(21-24)20(25)22(2)13-15-6-9-26-14-15/h6,9,14,16H,3-5,7-8,10-13H2,1-2H3
InChIKeyAMMSWFUVRBZTBW-UHFFFAOYSA-N
MW388.54 g/mol
LogP2.67
Rot. Bonds5

About 1-ethyl-N-(furan-3-ylmethyl)-N-methyl-5-thiomorpholin-4-yl-4,5,6,7-tetrahydroindazole-3-carboxamide

1-ethyl-N-(furan-3-ylmethyl)-N-methyl-5-thiomorpholin-4-yl-4,5,6,7-tetrahydroindazole-3-carboxamide (PubChem CID 45165490) has the molecular formula C20H28N4O2S and a molecular weight of 388.54 g/mol. Its IUPAC name is 1-ethyl-N-(furan-3-ylmethyl)-N-methyl-5-thiomorpholin-4-yl-4,5,6,7-tetrahydroindazole-3-carboxamide.

Molecular Properties

Compound Name1-ethyl-N-(furan-3-ylmethyl)-N-methyl-5-thiomorpholin-4-yl-4,5,6,7-tetrahydroindazole-3-carboxamide
PubChem CID45165490
Molecular FormulaC20H28N4O2S
Molecular Weight388.54 g/mol
Exact Mass388.19
IUPAC Name1-ethyl-N-(furan-3-ylmethyl)-N-methyl-5-thiomorpholin-4-yl-4,5,6,7-tetrahydroindazole-3-carboxamide
SMILESCCn1nc(C(=O)N(C)Cc2ccoc2)c2c1CCC(N1CCSCC1)C2
InChIInChI=1S/C20H28N4O2S/c1-3-24-18-5-4-16(23-7-10-27-11-8-23)12-17(18)19(21-24)20(25)22(2)13-15-6-9-26-14-15/h6,9,14,16H,3-5,7-8,10-13H2,1-2H3
InChIKeyAMMSWFUVRBZTBW-UHFFFAOYSA-N
XLogP2.67
TPSA54.51 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.54
LogP ≤ 52.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

1-ethyl-N-(furan-3-ylmethyl)-N-methyl-5-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)-4,5,6,7-tetrahydroindazole-3-carboxamide
CID 45159660
N-(furan-2-ylmethyl)-N,1-dimethyl-5-thiomorpholin-4-yl-4,5,6,7-tetrahydroindazole-3-carboxamide
CID 45164401
(5-morpholin-4-yl-1-propyl-4,5,6,7-tetrahydroindazol-3-yl)-thiomorpholin-4-ylmethanone
CID 45165359
N-benzyl-5-[4-(2-methoxyphenyl)piperazin-1-yl]-N,1-dimethyl-4,5,6,7-tetrahydroindazole-3-carboxamide
CID 45160857
5-(azocan-1-yl)-1-ethyl-N-methyl-4,5,6,7-tetrahydroindazole-3-carboxamide
CID 45163019
1-ethyl-5-[4-(2-pyridin-4-ylethyl)piperazin-1-yl]-4,5,6,7-tetrahydroindazole-3-carboxylic acid
CID 56703728
5-[4-(acetamidomethyl)piperidin-1-yl]-1-ethyl-4,5,6,7-tetrahydroindazole-3-carboxylic acid
CID 56704147
5-[cyclopropylmethyl(propyl)amino]-1-ethyl-N-(furan-2-ylmethyl)-N-methyl-4,5,6,7-tetrahydroindazole-3-carboxamide
CID 45165441
N-(furan-2-ylmethyl)-5-[4-(2-hydroxyphenyl)piperazin-1-yl]-N,1-dimethyl-4,5,6,7-tetrahydroindazole-3-carboxamide
CID 45164396
(5S)-5-[4-(2-adamantyl)piperazin-1-yl]-N-(furan-2-ylmethyl)-N,1-dimethyl-4,5,6,7-tetrahydroindazole-3-carboxamide
CID 92770097
1-ethyl-N-(furan-2-ylmethyl)-5-[(3-hydroxy-2,2-dimethylpropyl)amino]-N-methyl-4,5,6,7-tetrahydroindazole-3-carboxamide
CID 45165066
5-(1,3-benzothiazol-2-ylmethylamino)-1-ethyl-N-(furan-2-ylmethyl)-N-methyl-4,5,6,7-tetrahydroindazole-3-carboxamide
CID 45163985

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-N-(furan-3-ylmethyl)-N-methyl-5-thiomorpholin-4-yl-4,5,6,7-tetrahydroindazole-3-carboxamide?
The IUPAC name of 1-ethyl-N-(furan-3-ylmethyl)-N-methyl-5-thiomorpholin-4-yl-4,5,6,7-tetrahydroindazole-3-carboxamide (CID 45165490) is 1-ethyl-N-(furan-3-ylmethyl)-N-methyl-5-thiomorpholin-4-yl-4,5,6,7-tetrahydroindazole-3-carboxamide.
What is the SMILES notation for 1-ethyl-N-(furan-3-ylmethyl)-N-methyl-5-thiomorpholin-4-yl-4,5,6,7-tetrahydroindazole-3-carboxamide?
The canonical SMILES for 1-ethyl-N-(furan-3-ylmethyl)-N-methyl-5-thiomorpholin-4-yl-4,5,6,7-tetrahydroindazole-3-carboxamide is CCn1nc(C(=O)N(C)Cc2ccoc2)c2c1CCC(N1CCSCC1)C2.
What is the InChIKey of 1-ethyl-N-(furan-3-ylmethyl)-N-methyl-5-thiomorpholin-4-yl-4,5,6,7-tetrahydroindazole-3-carboxamide?
The InChIKey is AMMSWFUVRBZTBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N4O2S/c1-3-24-18-5-4-16(23-7-10-27-11-8-23)12-17(18)19(21-24)20(25)22(2)13-15-6-9-26-14-15/h6,9,14,16H,3-5,7-8,10-13H2,1-2H3.
What are the key properties of 1-ethyl-N-(furan-3-ylmethyl)-N-methyl-5-thiomorpholin-4-yl-4,5,6,7-tetrahydroindazole-3-carboxamide?
1-ethyl-N-(furan-3-ylmethyl)-N-methyl-5-thiomorpholin-4-yl-4,5,6,7-tetrahydroindazole-3-carboxamide has a molecular weight of 388.54 g/mol, XLogP of 2.67, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-N-(furan-3-ylmethyl)-N-methyl-5-thiomorpholin-4-yl-4,5,6,7-tetrahydroindazole-3-carboxamide is sourced from PubChem (CID 45165490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).