N-[[(2S,3aS,6aS)-5-[(1-methylpyrazol-4-yl)methyl]-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-2-yl]methyl]thiophene-3-carboxamide

C17H22N4O2S — CID 124813428

IUPACN-[[(2S,3aS,6aS)-5-[(1-methylpyrazol-4-yl)methyl]-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-2-yl]methyl]thiophene-3-carboxamide
SMILESCn1cc(CN2C[C@@H]3C[C@@H](CNC(=O)c4ccsc4)O[C@@H]3C2)cn1
InChIInChI=1S/C17H22N4O2S/c1-20-7-12(5-19-20)8-21-9-14-4-15(23-16(14)10-21)6-18-17(22)13-2-3-24-11-13/h2-3,5,7,11,14-16H,4,6,8-10H2,1H3,(H,18,22)/t14-,15-,16+/m0/s1
InChIKeyAANVARRETJSOLI-HRCADAONSA-N
MW346.46 g/mol
LogP1.50
Rot. Bonds5

About N-[[(2S,3aS,6aS)-5-[(1-methylpyrazol-4-yl)methyl]-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-2-yl]methyl]thiophene-3-carboxamide

N-[[(2S,3aS,6aS)-5-[(1-methylpyrazol-4-yl)methyl]-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-2-yl]methyl]thiophene-3-carboxamide (PubChem CID 124813428) has the molecular formula C17H22N4O2S and a molecular weight of 346.46 g/mol. Its IUPAC name is N-[[(2S,3aS,6aS)-5-[(1-methylpyrazol-4-yl)methyl]-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-2-yl]methyl]thiophene-3-carboxamide.

Molecular Properties

Compound NameN-[[(2S,3aS,6aS)-5-[(1-methylpyrazol-4-yl)methyl]-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-2-yl]methyl]thiophene-3-carboxamide
PubChem CID124813428
Molecular FormulaC17H22N4O2S
Molecular Weight346.46 g/mol
Exact Mass346.15
IUPAC NameN-[[(2S,3aS,6aS)-5-[(1-methylpyrazol-4-yl)methyl]-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-2-yl]methyl]thiophene-3-carboxamide
SMILESCn1cc(CN2C[C@@H]3C[C@@H](CNC(=O)c4ccsc4)O[C@@H]3C2)cn1
InChIInChI=1S/C17H22N4O2S/c1-20-7-12(5-19-20)8-21-9-14-4-15(23-16(14)10-21)6-18-17(22)13-2-3-24-11-13/h2-3,5,7,11,14-16H,4,6,8-10H2,1H3,(H,18,22)/t14-,15-,16+/m0/s1
InChIKeyAANVARRETJSOLI-HRCADAONSA-N
XLogP1.50
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.46
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[[(2S,3aS,6aS)-5-[(1-methylpyrazol-4-yl)methyl]-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-2-yl]methyl]thiophene-3-carboxamide with MolForge

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Related Compounds

2-[(2S,3aS,6aS)-5-(thiophen-3-ylmethyl)-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-2-yl]-1-(4-methylpiperazin-1-yl)ethanone
CID 97476304
2-[(2R,3aS,6aS)-5-[(1-methylpyrazol-4-yl)methyl]-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-2-yl]-N-(furan-2-ylmethyl)acetamide;2,2,2-trifluoroacetic acid
CID 155855813
N-[[(3aR,6aR)-5-[(1-methylpyrazol-4-yl)methyl]-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-3a-yl]methyl]thiophene-3-carboxamide;2,2,2-trifluoroacetic acid
CID 127023545
N-[[(2R,3aR,6aR)-5-[(4-fluorophenyl)methyl]-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-2-yl]methyl]-1-methylpyrrole-2-carboxamide
CID 97379405
N-[[(3R,3aS,6aS)-5-[(1-methylpyrazol-4-yl)methyl]-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-3-yl]methyl]pyridine-3-carboxamide
CID 133142810
N-[[(3S,3aS,6aS)-5-[(1-methylpyrazol-4-yl)methyl]-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-3-yl]methyl]benzamide;2,2,2-trifluoroacetic acid
CID 155847672
N-[[(3R,3aR,6aR)-5-[(1-methylpyrazol-4-yl)methyl]-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-3-yl]methyl]-2-methylpyrazole-3-carboxamide
CID 125245186
(1S,5R,6R)-N-benzyl-3-[(1-methylpyrazol-4-yl)methyl]-8-oxa-3-azabicyclo[3.2.1]octane-6-carboxamide
CID 133143196
N-[[(3S,3aR,6aR)-5-[(4-methyl-1,3-thiazol-5-yl)methyl]-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-3-yl]methyl]thiophene-3-carboxamide
CID 124811741
(1S,5R,6R)-N-cyclobutyl-3-[(1-methylpyrazol-4-yl)methyl]-8-oxa-3-azabicyclo[3.2.1]octane-6-carboxamide
CID 133143202
N-[2-[5-(1-methylpyrazol-4-yl)thiophen-2-yl]ethyl]thiophene-3-carboxamide
CID 155800975
(3aR,6aS)-5-[(1-methylpyrazol-4-yl)methyl]-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole;hydrochloride
CID 120660803

Frequently Asked Questions

What is the IUPAC name of N-[[(2S,3aS,6aS)-5-[(1-methylpyrazol-4-yl)methyl]-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-2-yl]methyl]thiophene-3-carboxamide?
The IUPAC name of N-[[(2S,3aS,6aS)-5-[(1-methylpyrazol-4-yl)methyl]-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-2-yl]methyl]thiophene-3-carboxamide (CID 124813428) is N-[[(2S,3aS,6aS)-5-[(1-methylpyrazol-4-yl)methyl]-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-2-yl]methyl]thiophene-3-carboxamide.
What is the SMILES notation for N-[[(2S,3aS,6aS)-5-[(1-methylpyrazol-4-yl)methyl]-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-2-yl]methyl]thiophene-3-carboxamide?
The canonical SMILES for N-[[(2S,3aS,6aS)-5-[(1-methylpyrazol-4-yl)methyl]-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-2-yl]methyl]thiophene-3-carboxamide is Cn1cc(CN2C[C@@H]3C[C@@H](CNC(=O)c4ccsc4)O[C@@H]3C2)cn1.
What is the InChIKey of N-[[(2S,3aS,6aS)-5-[(1-methylpyrazol-4-yl)methyl]-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-2-yl]methyl]thiophene-3-carboxamide?
The InChIKey is AANVARRETJSOLI-HRCADAONSA-N. The full InChI is InChI=1S/C17H22N4O2S/c1-20-7-12(5-19-20)8-21-9-14-4-15(23-16(14)10-21)6-18-17(22)13-2-3-24-11-13/h2-3,5,7,11,14-16H,4,6,8-10H2,1H3,(H,18,22)/t14-,15-,16+/m0/s1.
What are the key properties of N-[[(2S,3aS,6aS)-5-[(1-methylpyrazol-4-yl)methyl]-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-2-yl]methyl]thiophene-3-carboxamide?
N-[[(2S,3aS,6aS)-5-[(1-methylpyrazol-4-yl)methyl]-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-2-yl]methyl]thiophene-3-carboxamide has a molecular weight of 346.46 g/mol, XLogP of 1.50, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(2S,3aS,6aS)-5-[(1-methylpyrazol-4-yl)methyl]-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-2-yl]methyl]thiophene-3-carboxamide is sourced from PubChem (CID 124813428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).