8-oxo-3-(4-pyrrolidin-1-ylpiperidin-1-yl)-5-(1,3-thiazol-2-yl)pyrido[2,3-b]pyrazine-7-carboxylic acid

C20H22N6O3S — CID 52920218

IUPAC8-oxo-3-(4-pyrrolidin-1-ylpiperidin-1-yl)-5-(1,3-thiazol-2-yl)pyrido[2,3-b]pyrazine-7-carboxylic acid
SMILESO=C(O)c1cn(-c2nccs2)c2nc(N3CCC(N4CCCC4)CC3)cnc2c1=O
InChIInChI=1S/C20H22N6O3S/c27-17-14(19(28)29)12-26(20-21-5-10-30-20)18-16(17)22-11-15(23-18)25-8-3-13(4-9-25)24-6-1-2-7-24/h5,10-13H,1-4,6-9H2,(H,28,29)
InChIKeyODNSCNOLTQBHAH-UHFFFAOYSA-N
MW426.50 g/mol
LogP2.00
Rot. Bonds4

About 8-oxo-3-(4-pyrrolidin-1-ylpiperidin-1-yl)-5-(1,3-thiazol-2-yl)pyrido[2,3-b]pyrazine-7-carboxylic acid

8-oxo-3-(4-pyrrolidin-1-ylpiperidin-1-yl)-5-(1,3-thiazol-2-yl)pyrido[2,3-b]pyrazine-7-carboxylic acid (PubChem CID 52920218) has the molecular formula C20H22N6O3S and a molecular weight of 426.50 g/mol. Its IUPAC name is 8-oxo-3-(4-pyrrolidin-1-ylpiperidin-1-yl)-5-(1,3-thiazol-2-yl)pyrido[2,3-b]pyrazine-7-carboxylic acid.

Molecular Properties

Compound Name8-oxo-3-(4-pyrrolidin-1-ylpiperidin-1-yl)-5-(1,3-thiazol-2-yl)pyrido[2,3-b]pyrazine-7-carboxylic acid
PubChem CID52920218
Molecular FormulaC20H22N6O3S
Molecular Weight426.50 g/mol
Exact Mass426.15
IUPAC Name8-oxo-3-(4-pyrrolidin-1-ylpiperidin-1-yl)-5-(1,3-thiazol-2-yl)pyrido[2,3-b]pyrazine-7-carboxylic acid
SMILESO=C(O)c1cn(-c2nccs2)c2nc(N3CCC(N4CCCC4)CC3)cnc2c1=O
InChIInChI=1S/C20H22N6O3S/c27-17-14(19(28)29)12-26(20-21-5-10-30-20)18-16(17)22-11-15(23-18)25-8-3-13(4-9-25)24-6-1-2-7-24/h5,10-13H,1-4,6-9H2,(H,28,29)
InChIKeyODNSCNOLTQBHAH-UHFFFAOYSA-N
XLogP2.00
TPSA104.45 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.50
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 8-oxo-3-(4-pyrrolidin-1-ylpiperidin-1-yl)-5-(1,3-thiazol-2-yl)pyrido[2,3-b]pyrazine-7-carboxylic acid?
The IUPAC name of 8-oxo-3-(4-pyrrolidin-1-ylpiperidin-1-yl)-5-(1,3-thiazol-2-yl)pyrido[2,3-b]pyrazine-7-carboxylic acid (CID 52920218) is 8-oxo-3-(4-pyrrolidin-1-ylpiperidin-1-yl)-5-(1,3-thiazol-2-yl)pyrido[2,3-b]pyrazine-7-carboxylic acid.
What is the SMILES notation for 8-oxo-3-(4-pyrrolidin-1-ylpiperidin-1-yl)-5-(1,3-thiazol-2-yl)pyrido[2,3-b]pyrazine-7-carboxylic acid?
The canonical SMILES for 8-oxo-3-(4-pyrrolidin-1-ylpiperidin-1-yl)-5-(1,3-thiazol-2-yl)pyrido[2,3-b]pyrazine-7-carboxylic acid is O=C(O)c1cn(-c2nccs2)c2nc(N3CCC(N4CCCC4)CC3)cnc2c1=O.
What is the InChIKey of 8-oxo-3-(4-pyrrolidin-1-ylpiperidin-1-yl)-5-(1,3-thiazol-2-yl)pyrido[2,3-b]pyrazine-7-carboxylic acid?
The InChIKey is ODNSCNOLTQBHAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N6O3S/c27-17-14(19(28)29)12-26(20-21-5-10-30-20)18-16(17)22-11-15(23-18)25-8-3-13(4-9-25)24-6-1-2-7-24/h5,10-13H,1-4,6-9H2,(H,28,29).
What are the key properties of 8-oxo-3-(4-pyrrolidin-1-ylpiperidin-1-yl)-5-(1,3-thiazol-2-yl)pyrido[2,3-b]pyrazine-7-carboxylic acid?
8-oxo-3-(4-pyrrolidin-1-ylpiperidin-1-yl)-5-(1,3-thiazol-2-yl)pyrido[2,3-b]pyrazine-7-carboxylic acid has a molecular weight of 426.50 g/mol, XLogP of 2.00, 4 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 8-oxo-3-(4-pyrrolidin-1-ylpiperidin-1-yl)-5-(1,3-thiazol-2-yl)pyrido[2,3-b]pyrazine-7-carboxylic acid is sourced from PubChem (CID 52920218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).