methyl 3-[[(1S)-1-propan-2-yl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carbonyl]amino]thiophene-2-carboxylate

C17H21N3O3S — CID 92712057

IUPACmethyl 3-[[(1S)-1-propan-2-yl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carbonyl]amino]thiophene-2-carboxylate
SMILESCOC(=O)c1sccc1NC(=O)N1CCn2cccc2[C@@H]1C(C)C
InChIInChI=1S/C17H21N3O3S/c1-11(2)14-13-5-4-7-19(13)8-9-20(14)17(22)18-12-6-10-24-15(12)16(21)23-3/h4-7,10-11,14H,8-9H2,1-3H3,(H,18,22)/t14-/m0/s1
InChIKeyZSWZOHNZBXACIT-AWEZNQCLSA-N
MW347.44 g/mol
LogP3.58
Rot. Bonds3

About methyl 3-[[(1S)-1-propan-2-yl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carbonyl]amino]thiophene-2-carboxylate

methyl 3-[[(1S)-1-propan-2-yl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carbonyl]amino]thiophene-2-carboxylate (PubChem CID 92712057) has the molecular formula C17H21N3O3S and a molecular weight of 347.44 g/mol. Its IUPAC name is methyl 3-[[(1S)-1-propan-2-yl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carbonyl]amino]thiophene-2-carboxylate.

Molecular Properties

Compound Namemethyl 3-[[(1S)-1-propan-2-yl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carbonyl]amino]thiophene-2-carboxylate
PubChem CID92712057
Molecular FormulaC17H21N3O3S
Molecular Weight347.44 g/mol
Exact Mass347.13
IUPAC Namemethyl 3-[[(1S)-1-propan-2-yl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carbonyl]amino]thiophene-2-carboxylate
SMILESCOC(=O)c1sccc1NC(=O)N1CCn2cccc2[C@@H]1C(C)C
InChIInChI=1S/C17H21N3O3S/c1-11(2)14-13-5-4-7-19(13)8-9-20(14)17(22)18-12-6-10-24-15(12)16(21)23-3/h4-7,10-11,14H,8-9H2,1-3H3,(H,18,22)/t14-/m0/s1
InChIKeyZSWZOHNZBXACIT-AWEZNQCLSA-N
XLogP3.58
TPSA63.57 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.44
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze methyl 3-[[(1S)-1-propan-2-yl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carbonyl]amino]thiophene-2-carboxylate with MolForge

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Related Compounds

N-(5-chloro-2-methoxyphenyl)-1-propan-2-yl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxamide
CID 20965172
(1S)-N-(2,5-dimethylphenyl)-1-propan-2-yl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxamide
CID 92712035
(1R)-N-(4-bromo-3-methylphenyl)-1-propan-2-yl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxamide
CID 92725847
methyl 3-(2-methylpropanoylamino)thiophene-2-carboxylate
CID 4108556
(1R)-N-(2,4-dimethoxyphenyl)-1-thiophen-2-yl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxamide
CID 7589992
(1R)-N-(2-methoxyphenyl)-1-thiophen-2-yl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxamide
CID 7589977
methyl 3-(2-cyclopropylpropanoylamino)thiophene-2-carboxylate
CID 79506555
(1S)-N-(4-methoxyphenyl)-1-thiophen-2-yl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxamide
CID 7387652
(1R)-N-(4-methoxyphenyl)-1-thiophen-2-yl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxamide
CID 7387654
1-(4-methoxyphenyl)-N-thiophen-2-yl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxamide
CID 18580555
N-(4-methoxyphenyl)-1-thiophen-2-yl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxamide
CID 16813024
methyl 3-(methylamino)thiophene-2-carboxylate
CID 19005896

Frequently Asked Questions

What is the IUPAC name of methyl 3-[[(1S)-1-propan-2-yl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carbonyl]amino]thiophene-2-carboxylate?
The IUPAC name of methyl 3-[[(1S)-1-propan-2-yl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carbonyl]amino]thiophene-2-carboxylate (CID 92712057) is methyl 3-[[(1S)-1-propan-2-yl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carbonyl]amino]thiophene-2-carboxylate.
What is the SMILES notation for methyl 3-[[(1S)-1-propan-2-yl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carbonyl]amino]thiophene-2-carboxylate?
The canonical SMILES for methyl 3-[[(1S)-1-propan-2-yl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carbonyl]amino]thiophene-2-carboxylate is COC(=O)c1sccc1NC(=O)N1CCn2cccc2[C@@H]1C(C)C.
What is the InChIKey of methyl 3-[[(1S)-1-propan-2-yl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carbonyl]amino]thiophene-2-carboxylate?
The InChIKey is ZSWZOHNZBXACIT-AWEZNQCLSA-N. The full InChI is InChI=1S/C17H21N3O3S/c1-11(2)14-13-5-4-7-19(13)8-9-20(14)17(22)18-12-6-10-24-15(12)16(21)23-3/h4-7,10-11,14H,8-9H2,1-3H3,(H,18,22)/t14-/m0/s1.
What are the key properties of methyl 3-[[(1S)-1-propan-2-yl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carbonyl]amino]thiophene-2-carboxylate?
methyl 3-[[(1S)-1-propan-2-yl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carbonyl]amino]thiophene-2-carboxylate has a molecular weight of 347.44 g/mol, XLogP of 3.58, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[[(1S)-1-propan-2-yl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carbonyl]amino]thiophene-2-carboxylate is sourced from PubChem (CID 92712057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).