(1S)-1-(2,4-dichlorophenyl)-N-thiophen-2-yl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxamide

C18H15Cl2N3OS — CID 7589635

IUPAC(1S)-1-(2,4-dichlorophenyl)-N-thiophen-2-yl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxamide
SMILESO=C(Nc1cccs1)N1CCn2cccc2[C@@H]1c1ccc(Cl)cc1Cl
InChIInChI=1S/C18H15Cl2N3OS/c19-12-5-6-13(14(20)11-12)17-15-3-1-7-22(15)8-9-23(17)18(24)21-16-4-2-10-25-16/h1-7,10-11,17H,8-9H2,(H,21,24)/t17-/m0/s1
InChIKeyMFODZPWTUUCCMZ-KRWDZBQOSA-N
MW392.31 g/mol
LogP5.49
Rot. Bonds2

About (1S)-1-(2,4-dichlorophenyl)-N-thiophen-2-yl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxamide

(1S)-1-(2,4-dichlorophenyl)-N-thiophen-2-yl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxamide (PubChem CID 7589635) has the molecular formula C18H15Cl2N3OS and a molecular weight of 392.31 g/mol. Its IUPAC name is (1S)-1-(2,4-dichlorophenyl)-N-thiophen-2-yl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxamide.

Molecular Properties

Compound Name(1S)-1-(2,4-dichlorophenyl)-N-thiophen-2-yl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxamide
PubChem CID7589635
Molecular FormulaC18H15Cl2N3OS
Molecular Weight392.31 g/mol
Exact Mass391.03
IUPAC Name(1S)-1-(2,4-dichlorophenyl)-N-thiophen-2-yl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxamide
SMILESO=C(Nc1cccs1)N1CCn2cccc2[C@@H]1c1ccc(Cl)cc1Cl
InChIInChI=1S/C18H15Cl2N3OS/c19-12-5-6-13(14(20)11-12)17-15-3-1-7-22(15)8-9-23(17)18(24)21-16-4-2-10-25-16/h1-7,10-11,17H,8-9H2,(H,21,24)/t17-/m0/s1
InChIKeyMFODZPWTUUCCMZ-KRWDZBQOSA-N
XLogP5.49
TPSA37.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500392.31
LogP ≤ 55.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2,4-dichlorophenyl)-N-(3,4-dichlorophenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxamide
CID 43994483
1-(2,4-dichlorophenyl)-N-(4-methoxyphenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxamide
CID 16810886
1-(4-methylphenyl)-N-thiophen-2-yl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxamide
CID 16810920
(1S)-1-(2,4-dichlorophenyl)-N-(3,4,5-trimethoxyphenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxamide
CID 42546533
(1R)-N-(1,3-benzodioxol-5-yl)-1-(2,4-dichlorophenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxamide
CID 42546516
1-(4-methoxyphenyl)-N-thiophen-2-yl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxamide
CID 18580555
(1R)-1-(2,4-dichlorophenyl)-N-(2-phenylethyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxamide
CID 8670295
(1R)-N-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carbothioamide
CID 41048671
(1R)-N,1-bis(4-chlorophenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxamide
CID 7589543
(1S)-1-(2,4-dichlorophenyl)-N-(4-methoxyphenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carbothioamide
CID 41048667
(1S)-N-(4-fluorophenyl)-1-thiophen-2-yl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxamide
CID 7589973
N-(4-methoxyphenyl)-1-thiophen-2-yl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxamide
CID 16813024

Frequently Asked Questions

What is the IUPAC name of (1S)-1-(2,4-dichlorophenyl)-N-thiophen-2-yl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxamide?
The IUPAC name of (1S)-1-(2,4-dichlorophenyl)-N-thiophen-2-yl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxamide (CID 7589635) is (1S)-1-(2,4-dichlorophenyl)-N-thiophen-2-yl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxamide.
What is the SMILES notation for (1S)-1-(2,4-dichlorophenyl)-N-thiophen-2-yl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxamide?
The canonical SMILES for (1S)-1-(2,4-dichlorophenyl)-N-thiophen-2-yl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxamide is O=C(Nc1cccs1)N1CCn2cccc2[C@@H]1c1ccc(Cl)cc1Cl.
What is the InChIKey of (1S)-1-(2,4-dichlorophenyl)-N-thiophen-2-yl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxamide?
The InChIKey is MFODZPWTUUCCMZ-KRWDZBQOSA-N. The full InChI is InChI=1S/C18H15Cl2N3OS/c19-12-5-6-13(14(20)11-12)17-15-3-1-7-22(15)8-9-23(17)18(24)21-16-4-2-10-25-16/h1-7,10-11,17H,8-9H2,(H,21,24)/t17-/m0/s1.
What are the key properties of (1S)-1-(2,4-dichlorophenyl)-N-thiophen-2-yl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxamide?
(1S)-1-(2,4-dichlorophenyl)-N-thiophen-2-yl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxamide has a molecular weight of 392.31 g/mol, XLogP of 5.49, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-(2,4-dichlorophenyl)-N-thiophen-2-yl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxamide is sourced from PubChem (CID 7589635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).