2-cyclobutylsulfinyl-4-(2-methylpyrazol-3-yl)-6-pyrido[2,3-b]pyrazin-7-ylthieno[2,3-b]pyridin-3-amine

C22H19N7OS2 — CID 147298073

IUPAC2-cyclobutylsulfinyl-4-(2-methylpyrazol-3-yl)-6-pyrido[2,3-b]pyrazin-7-ylthieno[2,3-b]pyridin-3-amine
SMILESCn1nccc1-c1cc(-c2cnc3nccnc3c2)nc2sc(S(=O)C3CCC3)c(N)c12
InChIInChI=1S/C22H19N7OS2/c1-29-17(5-6-27-29)14-10-15(12-9-16-20(26-11-12)25-8-7-24-16)28-21-18(14)19(23)22(31-21)32(30)13-3-2-4-13/h5-11,13H,2-4,23H2,1H3
InChIKeyCVNFFKGUQBQWKQ-UHFFFAOYSA-N
MW461.58 g/mol
LogP3.94
Rot. Bonds4

About 2-cyclobutylsulfinyl-4-(2-methylpyrazol-3-yl)-6-pyrido[2,3-b]pyrazin-7-ylthieno[2,3-b]pyridin-3-amine

2-cyclobutylsulfinyl-4-(2-methylpyrazol-3-yl)-6-pyrido[2,3-b]pyrazin-7-ylthieno[2,3-b]pyridin-3-amine (PubChem CID 147298073) has the molecular formula C22H19N7OS2 and a molecular weight of 461.58 g/mol. Its IUPAC name is 2-cyclobutylsulfinyl-4-(2-methylpyrazol-3-yl)-6-pyrido[2,3-b]pyrazin-7-ylthieno[2,3-b]pyridin-3-amine.

Molecular Properties

Compound Name2-cyclobutylsulfinyl-4-(2-methylpyrazol-3-yl)-6-pyrido[2,3-b]pyrazin-7-ylthieno[2,3-b]pyridin-3-amine
PubChem CID147298073
Molecular FormulaC22H19N7OS2
Molecular Weight461.58 g/mol
Exact Mass461.11
IUPAC Name2-cyclobutylsulfinyl-4-(2-methylpyrazol-3-yl)-6-pyrido[2,3-b]pyrazin-7-ylthieno[2,3-b]pyridin-3-amine
SMILESCn1nccc1-c1cc(-c2cnc3nccnc3c2)nc2sc(S(=O)C3CCC3)c(N)c12
InChIInChI=1S/C22H19N7OS2/c1-29-17(5-6-27-29)14-10-15(12-9-16-20(26-11-12)25-8-7-24-16)28-21-18(14)19(23)22(31-21)32(30)13-3-2-4-13/h5-11,13H,2-4,23H2,1H3
InChIKeyCVNFFKGUQBQWKQ-UHFFFAOYSA-N
XLogP3.94
TPSA112.47 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500461.58
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 2-cyclobutylsulfinyl-4-(2-methylpyrazol-3-yl)-6-pyrido[2,3-b]pyrazin-7-ylthieno[2,3-b]pyridin-3-amine?
The IUPAC name of 2-cyclobutylsulfinyl-4-(2-methylpyrazol-3-yl)-6-pyrido[2,3-b]pyrazin-7-ylthieno[2,3-b]pyridin-3-amine (CID 147298073) is 2-cyclobutylsulfinyl-4-(2-methylpyrazol-3-yl)-6-pyrido[2,3-b]pyrazin-7-ylthieno[2,3-b]pyridin-3-amine.
What is the SMILES notation for 2-cyclobutylsulfinyl-4-(2-methylpyrazol-3-yl)-6-pyrido[2,3-b]pyrazin-7-ylthieno[2,3-b]pyridin-3-amine?
The canonical SMILES for 2-cyclobutylsulfinyl-4-(2-methylpyrazol-3-yl)-6-pyrido[2,3-b]pyrazin-7-ylthieno[2,3-b]pyridin-3-amine is Cn1nccc1-c1cc(-c2cnc3nccnc3c2)nc2sc(S(=O)C3CCC3)c(N)c12.
What is the InChIKey of 2-cyclobutylsulfinyl-4-(2-methylpyrazol-3-yl)-6-pyrido[2,3-b]pyrazin-7-ylthieno[2,3-b]pyridin-3-amine?
The InChIKey is CVNFFKGUQBQWKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19N7OS2/c1-29-17(5-6-27-29)14-10-15(12-9-16-20(26-11-12)25-8-7-24-16)28-21-18(14)19(23)22(31-21)32(30)13-3-2-4-13/h5-11,13H,2-4,23H2,1H3.
What are the key properties of 2-cyclobutylsulfinyl-4-(2-methylpyrazol-3-yl)-6-pyrido[2,3-b]pyrazin-7-ylthieno[2,3-b]pyridin-3-amine?
2-cyclobutylsulfinyl-4-(2-methylpyrazol-3-yl)-6-pyrido[2,3-b]pyrazin-7-ylthieno[2,3-b]pyridin-3-amine has a molecular weight of 461.58 g/mol, XLogP of 3.94, 4 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclobutylsulfinyl-4-(2-methylpyrazol-3-yl)-6-pyrido[2,3-b]pyrazin-7-ylthieno[2,3-b]pyridin-3-amine is sourced from PubChem (CID 147298073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).