(4S)-2-(5-chlorothiophen-3-yl)-4-methyl-1-oxo-N-pyridin-3-yl-3,4-dihydropyrrolo[1,2-a]pyrazine-8-carboxamide

C18H15ClN4O2S — CID 142336840

IUPAC(4S)-2-(5-chlorothiophen-3-yl)-4-methyl-1-oxo-N-pyridin-3-yl-3,4-dihydropyrrolo[1,2-a]pyrazine-8-carboxamide
SMILESC[C@H]1CN(c2csc(Cl)c2)C(=O)c2c(C(=O)Nc3cccnc3)ccn21
InChIInChI=1S/C18H15ClN4O2S/c1-11-9-23(13-7-15(19)26-10-13)18(25)16-14(4-6-22(11)16)17(24)21-12-3-2-5-20-8-12/h2-8,10-11H,9H2,1H3,(H,21,24)/t11-/m0/s1
InChIKeyYUNBCEQSIATMPL-NSHDSACASA-N
MW386.86 g/mol
LogP4.07
Rot. Bonds3

About (4S)-2-(5-chlorothiophen-3-yl)-4-methyl-1-oxo-N-pyridin-3-yl-3,4-dihydropyrrolo[1,2-a]pyrazine-8-carboxamide

(4S)-2-(5-chlorothiophen-3-yl)-4-methyl-1-oxo-N-pyridin-3-yl-3,4-dihydropyrrolo[1,2-a]pyrazine-8-carboxamide (PubChem CID 142336840) has the molecular formula C18H15ClN4O2S and a molecular weight of 386.86 g/mol. Its IUPAC name is (4S)-2-(5-chlorothiophen-3-yl)-4-methyl-1-oxo-N-pyridin-3-yl-3,4-dihydropyrrolo[1,2-a]pyrazine-8-carboxamide.

Molecular Properties

Compound Name(4S)-2-(5-chlorothiophen-3-yl)-4-methyl-1-oxo-N-pyridin-3-yl-3,4-dihydropyrrolo[1,2-a]pyrazine-8-carboxamide
PubChem CID142336840
Molecular FormulaC18H15ClN4O2S
Molecular Weight386.86 g/mol
Exact Mass386.06
IUPAC Name(4S)-2-(5-chlorothiophen-3-yl)-4-methyl-1-oxo-N-pyridin-3-yl-3,4-dihydropyrrolo[1,2-a]pyrazine-8-carboxamide
SMILESC[C@H]1CN(c2csc(Cl)c2)C(=O)c2c(C(=O)Nc3cccnc3)ccn21
InChIInChI=1S/C18H15ClN4O2S/c1-11-9-23(13-7-15(19)26-10-13)18(25)16-14(4-6-22(11)16)17(24)21-12-3-2-5-20-8-12/h2-8,10-11H,9H2,1H3,(H,21,24)/t11-/m0/s1
InChIKeyYUNBCEQSIATMPL-NSHDSACASA-N
XLogP4.07
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.86
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(4S)-2-[4-(difluoromethyl)phenyl]-4-methyl-1-oxo-N-pyridin-3-yl-3,4-dihydropyrrolo[1,2-a]pyrazine-8-carboxamide
CID 142336809
(4S)-2-[4-(difluoromethyl)-3-fluorophenyl]-4-methyl-1-oxo-N-pyridin-3-yl-3,4-dihydropyrrolo[1,2-a]pyrazine-8-carboxamide
CID 142336787
(4S)-2-(2,3-dihydro-1-benzofuran-5-yl)-4-methyl-1-oxo-N-pyridin-3-yl-3,4-dihydropyrrolo[1,2-a]pyrazine-8-carboxamide
CID 142336870
(7S)-5-[3-chloro-4-(trifluoromethyl)phenyl]-7-methyl-4-oxo-N-pyridin-3-yl-6,7-dihydropyrazolo[1,5-a]pyrazine-3-carboxamide;methane;sulfane
CID 158547915
(4S)-2-(3-chloro-4-fluorophenyl)-4-methyl-N-[3-(methylsulfonimidoyl)phenyl]-1-oxo-3,4-dihydropyrrolo[1,2-a]pyrazine-8-carboxamide
CID 142336763
2-(5-chlorothiophen-2-yl)-1-oxo-N-pyridin-3-yl-3,4-dihydropyrrolo[1,2-a]pyrazine-8-carboxamide
CID 134463399
(4S)-4-methyl-N-(2-methyl-3-pyridinyl)-1-oxo-2-[4-(trifluoromethyl)phenyl]-3,4-dihydropyrrolo[1,2-a]pyrazine-8-carboxamide
CID 142336701
N-[(4S)-2-(4-chloro-3-methoxyphenyl)-4-methyl-1-oxo-3,4-dihydropyrrolo[1,2-a]pyrazin-8-yl]-4-methylpyridine-3-carboxamide
CID 142336786
(4R)-4-amino-6-methyl-1-oxo-N-pyridin-3-yl-2-[4-(trifluoromethyl)phenyl]-3,4-dihydropyrrolo[1,2-a]pyrazine-8-carboxamide
CID 142336682
2-chloro-5-hydroxy-N-pyridin-3-ylbenzamide
CID 106501191
1-oxo-N-pyridin-3-yl-3,4-dihydro-2H-pyrrolo[1,2-a]pyrazine-8-carboxamide
CID 134463470
5-[3-chloro-4-(trifluoromethyl)phenyl]-7-(methoxymethyl)-4-oxo-N-pyridin-3-yl-6,7-dihydropyrazolo[1,5-a]pyrazine-3-carboxamide;methane
CID 159244144

Frequently Asked Questions

What is the IUPAC name of (4S)-2-(5-chlorothiophen-3-yl)-4-methyl-1-oxo-N-pyridin-3-yl-3,4-dihydropyrrolo[1,2-a]pyrazine-8-carboxamide?
The IUPAC name of (4S)-2-(5-chlorothiophen-3-yl)-4-methyl-1-oxo-N-pyridin-3-yl-3,4-dihydropyrrolo[1,2-a]pyrazine-8-carboxamide (CID 142336840) is (4S)-2-(5-chlorothiophen-3-yl)-4-methyl-1-oxo-N-pyridin-3-yl-3,4-dihydropyrrolo[1,2-a]pyrazine-8-carboxamide.
What is the SMILES notation for (4S)-2-(5-chlorothiophen-3-yl)-4-methyl-1-oxo-N-pyridin-3-yl-3,4-dihydropyrrolo[1,2-a]pyrazine-8-carboxamide?
The canonical SMILES for (4S)-2-(5-chlorothiophen-3-yl)-4-methyl-1-oxo-N-pyridin-3-yl-3,4-dihydropyrrolo[1,2-a]pyrazine-8-carboxamide is C[C@H]1CN(c2csc(Cl)c2)C(=O)c2c(C(=O)Nc3cccnc3)ccn21.
What is the InChIKey of (4S)-2-(5-chlorothiophen-3-yl)-4-methyl-1-oxo-N-pyridin-3-yl-3,4-dihydropyrrolo[1,2-a]pyrazine-8-carboxamide?
The InChIKey is YUNBCEQSIATMPL-NSHDSACASA-N. The full InChI is InChI=1S/C18H15ClN4O2S/c1-11-9-23(13-7-15(19)26-10-13)18(25)16-14(4-6-22(11)16)17(24)21-12-3-2-5-20-8-12/h2-8,10-11H,9H2,1H3,(H,21,24)/t11-/m0/s1.
What are the key properties of (4S)-2-(5-chlorothiophen-3-yl)-4-methyl-1-oxo-N-pyridin-3-yl-3,4-dihydropyrrolo[1,2-a]pyrazine-8-carboxamide?
(4S)-2-(5-chlorothiophen-3-yl)-4-methyl-1-oxo-N-pyridin-3-yl-3,4-dihydropyrrolo[1,2-a]pyrazine-8-carboxamide has a molecular weight of 386.86 g/mol, XLogP of 4.07, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-2-(5-chlorothiophen-3-yl)-4-methyl-1-oxo-N-pyridin-3-yl-3,4-dihydropyrrolo[1,2-a]pyrazine-8-carboxamide is sourced from PubChem (CID 142336840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).