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

C17H13ClN4O2S — CID 134463399

IUPAC2-(5-chlorothiophen-2-yl)-1-oxo-N-pyridin-3-yl-3,4-dihydropyrrolo[1,2-a]pyrazine-8-carboxamide
SMILESO=C(Nc1cccnc1)c1ccn2c1C(=O)N(c1ccc(Cl)s1)CC2
InChIInChI=1S/C17H13ClN4O2S/c18-13-3-4-14(25-13)22-9-8-21-7-5-12(15(21)17(22)24)16(23)20-11-2-1-6-19-10-11/h1-7,10H,8-9H2,(H,20,23)
InChIKeyYTTZLTWDXSECEA-UHFFFAOYSA-N
MW372.84 g/mol
LogP3.51
Rot. Bonds3

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

2-(5-chlorothiophen-2-yl)-1-oxo-N-pyridin-3-yl-3,4-dihydropyrrolo[1,2-a]pyrazine-8-carboxamide (PubChem CID 134463399) has the molecular formula C17H13ClN4O2S and a molecular weight of 372.84 g/mol. Its IUPAC name is 2-(5-chlorothiophen-2-yl)-1-oxo-N-pyridin-3-yl-3,4-dihydropyrrolo[1,2-a]pyrazine-8-carboxamide.

Molecular Properties

Compound Name2-(5-chlorothiophen-2-yl)-1-oxo-N-pyridin-3-yl-3,4-dihydropyrrolo[1,2-a]pyrazine-8-carboxamide
PubChem CID134463399
Molecular FormulaC17H13ClN4O2S
Molecular Weight372.84 g/mol
Exact Mass372.04
IUPAC Name2-(5-chlorothiophen-2-yl)-1-oxo-N-pyridin-3-yl-3,4-dihydropyrrolo[1,2-a]pyrazine-8-carboxamide
SMILESO=C(Nc1cccnc1)c1ccn2c1C(=O)N(c1ccc(Cl)s1)CC2
InChIInChI=1S/C17H13ClN4O2S/c18-13-3-4-14(25-13)22-9-8-21-7-5-12(15(21)17(22)24)16(23)20-11-2-1-6-19-10-11/h1-7,10H,8-9H2,(H,20,23)
InChIKeyYTTZLTWDXSECEA-UHFFFAOYSA-N
XLogP3.51
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.84
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-oxo-N-pyridin-3-yl-3,4-dihydro-2H-pyrrolo[1,2-a]pyrazine-8-carboxamide
CID 134463470
(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
2-chloro-5-hydroxy-N-pyridin-3-ylbenzamide
CID 106501191
(4S)-2-[4-(difluoromethyl)phenyl]-4-methyl-1-oxo-N-pyridin-3-yl-3,4-dihydropyrrolo[1,2-a]pyrazine-8-carboxamide
CID 142336809
6-fluoro-1-oxo-N-pyridin-3-yl-2-[4-(trifluoromethyl)phenyl]-3,4-dihydropyrrolo[1,2-a]pyrazine-8-carboxamide
CID 134463396
5-oxo-N-pyridin-3-yl-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
CID 4606085
(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
2,5-dihydroxy-N-pyridin-3-ylbenzamide
CID 113347059
(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
4-amino-1-methyl-N-pyridin-3-ylpyrazole-5-carboxamide
CID 65355553
5-chloro-2-iodo-N-pyridin-3-ylbenzamide
CID 47188812
(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

Frequently Asked Questions

What is the IUPAC name of 2-(5-chlorothiophen-2-yl)-1-oxo-N-pyridin-3-yl-3,4-dihydropyrrolo[1,2-a]pyrazine-8-carboxamide?
The IUPAC name of 2-(5-chlorothiophen-2-yl)-1-oxo-N-pyridin-3-yl-3,4-dihydropyrrolo[1,2-a]pyrazine-8-carboxamide (CID 134463399) is 2-(5-chlorothiophen-2-yl)-1-oxo-N-pyridin-3-yl-3,4-dihydropyrrolo[1,2-a]pyrazine-8-carboxamide.
What is the SMILES notation for 2-(5-chlorothiophen-2-yl)-1-oxo-N-pyridin-3-yl-3,4-dihydropyrrolo[1,2-a]pyrazine-8-carboxamide?
The canonical SMILES for 2-(5-chlorothiophen-2-yl)-1-oxo-N-pyridin-3-yl-3,4-dihydropyrrolo[1,2-a]pyrazine-8-carboxamide is O=C(Nc1cccnc1)c1ccn2c1C(=O)N(c1ccc(Cl)s1)CC2.
What is the InChIKey of 2-(5-chlorothiophen-2-yl)-1-oxo-N-pyridin-3-yl-3,4-dihydropyrrolo[1,2-a]pyrazine-8-carboxamide?
The InChIKey is YTTZLTWDXSECEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13ClN4O2S/c18-13-3-4-14(25-13)22-9-8-21-7-5-12(15(21)17(22)24)16(23)20-11-2-1-6-19-10-11/h1-7,10H,8-9H2,(H,20,23).
What are the key properties of 2-(5-chlorothiophen-2-yl)-1-oxo-N-pyridin-3-yl-3,4-dihydropyrrolo[1,2-a]pyrazine-8-carboxamide?
2-(5-chlorothiophen-2-yl)-1-oxo-N-pyridin-3-yl-3,4-dihydropyrrolo[1,2-a]pyrazine-8-carboxamide has a molecular weight of 372.84 g/mol, XLogP of 3.51, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-chlorothiophen-2-yl)-1-oxo-N-pyridin-3-yl-3,4-dihydropyrrolo[1,2-a]pyrazine-8-carboxamide is sourced from PubChem (CID 134463399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).