5-[[5-amino-2-[2-(oxan-2-yl)pyrazol-3-yl]thieno[3,2-b]pyridin-7-yl]amino]pentan-2-one;5-aminopentan-2-one;5-[[5-amino-2-(1H-pyrazol-5-yl)thieno[3,2-b]pyridin-7-yl]amino]pentan-2-one;7-chloro-2-[2-(oxan-2-yl)pyrazol-3-yl]thieno[3,2-b]pyridin-5-amine;4-methylbenzenesulfonic acid

C62H76ClN15O8S4 — CID 163654174

IUPAC5-[[5-amino-2-[2-(oxan-2-yl)pyrazol-3-yl]thieno[3,2-b]pyridin-7-yl]amino]pentan-2-one;5-aminopentan-2-one;5-[[5-amino-2-(1H-pyrazol-5-yl)thieno[3,2-b]pyridin-7-yl]amino]pentan-2-one;7-chloro-2-[2-(oxan-2-yl)pyrazol-3-yl]thieno[3,2-b]pyridin-5-amine;4-methylbenzenesulfonic acid
SMILESCC(=O)CCCN.CC(=O)CCCNc1cc(N)nc2cc(-c3ccn[nH]3)sc12.CC(=O)CCCNc1cc(N)nc2cc(-c3ccnn3C3CCCCO3)sc12.Cc1ccc(S(=O)(=O)O)cc1.Nc1cc(Cl)c2sc(-c3ccnn3C3CCCCO3)cc2n1
InChIInChI=1S/C20H25N5O2S.C15H15ClN4OS.C15H17N5OS.C7H8O3S.C5H11NO/c1-13(26)5-4-8-22-14-12-18(21)24-15-11-17(28-20(14)15)16-7-9-23-25(16)19-6-2-3-10-27-19;16-9-7-13(17)19-10-8-12(22-15(9)10)11-4-5-18-20(11)14-3-1-2-6-21-14;1-9(21)3-2-5-17-11-8-14(16)19-12-7-13(22-15(11)12)10-4-6-18-20-10;1-6-2-4-7(5-3-6)11(8,9)10;1-5(7)3-2-4-6/h7,9,11-12,19H,2-6,8,10H2,1H3,(H3,21,22,24);4-5,7-8,14H,1-3,6H2,(H2,17,19);4,6-8H,2-3,5H2,1H3,(H,18,20)(H3,16,17,19);2-5H,1H3,(H,8,9,10);2-4,6H2,1H3
InChIKeyMROXINOUMLHSDC-UHFFFAOYSA-N
MW1323.11 g/mol
LogP12.92
Rot. Bonds19

About 5-[[5-amino-2-[2-(oxan-2-yl)pyrazol-3-yl]thieno[3,2-b]pyridin-7-yl]amino]pentan-2-one;5-aminopentan-2-one;5-[[5-amino-2-(1H-pyrazol-5-yl)thieno[3,2-b]pyridin-7-yl]amino]pentan-2-one;7-chloro-2-[2-(oxan-2-yl)pyrazol-3-yl]thieno[3,2-b]pyridin-5-amine;4-methylbenzenesulfonic acid

5-[[5-amino-2-[2-(oxan-2-yl)pyrazol-3-yl]thieno[3,2-b]pyridin-7-yl]amino]pentan-2-one;5-aminopentan-2-one;5-[[5-amino-2-(1H-pyrazol-5-yl)thieno[3,2-b]pyridin-7-yl]amino]pentan-2-one;7-chloro-2-[2-(oxan-2-yl)pyrazol-3-yl]thieno[3,2-b]pyridin-5-amine;4-methylbenzenesulfonic acid (PubChem CID 163654174) has the molecular formula C62H76ClN15O8S4 and a molecular weight of 1323.11 g/mol. Its IUPAC name is 5-[[5-amino-2-[2-(oxan-2-yl)pyrazol-3-yl]thieno[3,2-b]pyridin-7-yl]amino]pentan-2-one;5-aminopentan-2-one;5-[[5-amino-2-(1H-pyrazol-5-yl)thieno[3,2-b]pyridin-7-yl]amino]pentan-2-one;7-chloro-2-[2-(oxan-2-yl)pyrazol-3-yl]thieno[3,2-b]pyridin-5-amine;4-methylbenzenesulfonic acid.

Molecular Properties

Compound Name5-[[5-amino-2-[2-(oxan-2-yl)pyrazol-3-yl]thieno[3,2-b]pyridin-7-yl]amino]pentan-2-one;5-aminopentan-2-one;5-[[5-amino-2-(1H-pyrazol-5-yl)thieno[3,2-b]pyridin-7-yl]amino]pentan-2-one;7-chloro-2-[2-(oxan-2-yl)pyrazol-3-yl]thieno[3,2-b]pyridin-5-amine;4-methylbenzenesulfonic acid
PubChem CID163654174
Molecular FormulaC62H76ClN15O8S4
Molecular Weight1323.11 g/mol
Exact Mass1321.46
IUPAC Name5-[[5-amino-2-[2-(oxan-2-yl)pyrazol-3-yl]thieno[3,2-b]pyridin-7-yl]amino]pentan-2-one;5-aminopentan-2-one;5-[[5-amino-2-(1H-pyrazol-5-yl)thieno[3,2-b]pyridin-7-yl]amino]pentan-2-one;7-chloro-2-[2-(oxan-2-yl)pyrazol-3-yl]thieno[3,2-b]pyridin-5-amine;4-methylbenzenesulfonic acid
SMILESCC(=O)CCCN.CC(=O)CCCNc1cc(N)nc2cc(-c3ccn[nH]3)sc12.CC(=O)CCCNc1cc(N)nc2cc(-c3ccnn3C3CCCCO3)sc12.Cc1ccc(S(=O)(=O)O)cc1.Nc1cc(Cl)c2sc(-c3ccnn3C3CCCCO3)cc2n1
InChIInChI=1S/C20H25N5O2S.C15H15ClN4OS.C15H17N5OS.C7H8O3S.C5H11NO/c1-13(26)5-4-8-22-14-12-18(21)24-15-11-17(28-20(14)15)16-7-9-23-25(16)19-6-2-3-10-27-19;16-9-7-13(17)19-10-8-12(22-15(9)10)11-4-5-18-20(11)14-3-1-2-6-21-14;1-9(21)3-2-5-17-11-8-14(16)19-12-7-13(22-15(11)12)10-4-6-18-20-10;1-6-2-4-7(5-3-6)11(8,9)10;1-5(7)3-2-4-6/h7,9,11-12,19H,2-6,8,10H2,1H3,(H3,21,22,24);4-5,7-8,14H,1-3,6H2,(H2,17,19);4,6-8H,2-3,5H2,1H3,(H,18,20)(H3,16,17,19);2-5H,1H3,(H,8,9,10);2-4,6H2,1H3
InChIKeyMROXINOUMLHSDC-UHFFFAOYSA-N
XLogP12.92
TPSA355.17 Ų
H-Bond Donors8
H-Bond Acceptors24
Rotatable Bonds19
Heavy Atoms90
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001323.11
LogP ≤ 512.92
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1024

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}

Analyze 5-[[5-amino-2-[2-(oxan-2-yl)pyrazol-3-yl]thieno[3,2-b]pyridin-7-yl]amino]pentan-2-one;5-aminopentan-2-one;5-[[5-amino-2-(1H-pyrazol-5-yl)thieno[3,2-b]pyridin-7-yl]amino]pentan-2-one;7-chloro-2-[2-(oxan-2-yl)pyrazol-3-yl]thieno[3,2-b]pyridin-5-amine;4-methylbenzenesulfonic acid with MolForge

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Related Compounds

7-chloro-2-[2-(oxan-2-yl)pyrazol-3-yl]thieno[3,2-b]pyridin-5-amine;4-methylbenzenesulfonic acid;(1-methylpyrazol-3-yl)methanamine;7-N-[(1-methylpyrazol-3-yl)methyl]-2-[2-(oxan-2-yl)pyrazol-3-yl]thieno[3,2-b]pyridine-5,7-diamine;7-N-[(1-methylpyrazol-3-yl)methyl]-2-(1H-pyrazol-5-yl)thieno[3,2-b]pyridine-5,7-diamine
CID 163434684
3-aminocyclobutan-1-ol;3-[[5-amino-2-[2-(oxan-2-yl)pyrazol-3-yl]thieno[3,2-b]pyridin-7-yl]amino]cyclobutan-1-ol;3-[[5-amino-2-(1H-pyrazol-5-yl)thieno[3,2-b]pyridin-7-yl]amino]cyclobutan-1-ol;7-chloro-2-[2-(oxan-2-yl)pyrazol-3-yl]thieno[3,2-b]pyridin-5-amine;4-methylbenzenesulfonic acid
CID 163533818
N-(3-aminopropyl)-N-methylacetamide;N-[3-[[5-amino-2-(1H-pyrazol-5-yl)thieno[3,2-b]pyridin-7-yl]amino]propyl]-N-methylacetamide;7-bromo-N-tert-butyl-2-[2-(oxan-2-yl)pyrazol-3-yl]thieno[3,2-b]pyridin-5-amine;N-[3-[[5-(tert-butylamino)-2-[2-(oxan-2-yl)pyrazol-3-yl]thieno[3,2-b]pyridin-7-yl]amino]propyl]-N-methylacetamide;4-methylbenzenesulfonic acid;hydrochloride
CID 163557935
(2S)-1-[[5-amino-2-[2-(oxan-2-yl)pyrazol-3-yl]thieno[3,2-b]pyridin-7-yl]amino]propan-2-ol;(2S)-1-aminopropan-2-ol;(2S)-1-[[5-amino-2-(1H-pyrazol-5-yl)thieno[3,2-b]pyridin-7-yl]amino]propan-2-ol;7-chloro-2-[2-(oxan-2-yl)pyrazol-3-yl]thieno[3,2-b]pyridin-5-amine
CID 163615081
(2R)-1-[[5-amino-2-[2-(oxan-2-yl)pyrazol-3-yl]thieno[3,2-b]pyridin-7-yl]amino]propan-2-ol;(2R)-1-aminopropan-2-ol;(2R)-1-[[5-amino-2-(1H-pyrazol-5-yl)thieno[3,2-b]pyridin-7-yl]amino]propan-2-ol;7-chloro-2-[2-(oxan-2-yl)pyrazol-3-yl]thieno[3,2-b]pyridin-5-amine
CID 163615082
7-chloro-2-[2-(oxan-2-yl)pyrazol-3-yl]thieno[3,2-b]pyridin-5-amine;4-methylbenzenesulfonic acid;3-(4-methylpiperazin-1-yl)propan-1-amine;7-N-[3-(4-methylpiperazin-1-yl)propyl]-2-[2-(oxan-2-yl)pyrazol-3-yl]thieno[3,2-b]pyridine-5,7-diamine;7-N-[3-(4-methylpiperazin-1-yl)propyl]-2-(1H-pyrazol-5-yl)thieno[3,2-b]pyridine-5,7-diamine
CID 163761315
1-amino-2-methylpropan-2-ol;1-[[5-amino-2-[2-(oxan-2-yl)pyrazol-3-yl]thieno[3,2-b]pyridin-7-yl]amino]-2-methylpropan-2-ol;1-[[5-amino-2-(1H-pyrazol-5-yl)thieno[3,2-b]pyridin-7-yl]amino]-2-methylpropan-2-ol;7-chloro-2-[2-(oxan-2-yl)pyrazol-3-yl]thieno[3,2-b]pyridin-5-amine;methane
CID 163934780
7-chloro-2-[2-(oxan-2-yl)pyrazol-3-yl]thieno[3,2-b]pyridin-5-amine;4-methylbenzenesulfonic acid;2-morpholin-4-ylethanamine;7-N-(2-morpholin-4-ylethyl)-2-[2-(oxan-2-yl)pyrazol-3-yl]thieno[3,2-b]pyridine-5,7-diamine;7-N-(2-morpholin-4-ylethyl)-2-(1H-pyrazol-5-yl)thieno[3,2-b]pyridine-5,7-diamine
CID 163994943
7-chloro-2-[2-(oxan-2-yl)pyrazol-3-yl]thieno[3,2-b]pyridin-5-amine;(6-methyl-2-pyridinyl)methanamine;7-N-[(6-methyl-2-pyridinyl)methyl]-2-[2-(oxan-2-yl)pyrazol-3-yl]thieno[3,2-b]pyridine-5,7-diamine;7-N-[(6-methyl-2-pyridinyl)methyl]-2-(1H-pyrazol-5-yl)thieno[3,2-b]pyridine-5,7-diamine
CID 164018009
3-[[5-amino-2-[2-(oxan-2-yl)pyrazol-3-yl]thieno[3,2-b]pyridin-7-yl]amino]propan-1-ol;3-aminopropan-1-ol;3-[[5-amino-2-(1H-pyrazol-5-yl)thieno[3,2-b]pyridin-7-yl]amino]propan-1-ol;7-chloro-2-[2-(oxan-2-yl)pyrazol-3-yl]thieno[3,2-b]pyridin-5-amine
CID 164043890
N-[3-[[5-amino-2-[2-(oxan-2-yl)pyrazol-3-yl]thieno[3,2-b]pyridin-7-yl]amino]propyl]acetamide;5-aminopentan-2-one;N-[3-[[5-amino-2-(1H-pyrazol-5-yl)thieno[3,2-b]pyridin-7-yl]amino]propyl]acetamide;7-chloro-2-[2-(oxan-2-yl)pyrazol-3-yl]thieno[3,2-b]pyridin-5-amine;4-methylbenzenesulfonic acid;hydrochloride
CID 164045904
7-chloro-2-[2-(oxan-2-yl)pyrazol-3-yl]thieno[3,2-b]pyridin-5-amine;(3S)-1-methylpyrrolidin-3-amine;7-N-[(3S)-1-methylpyrrolidin-3-yl]-2-[2-(oxan-2-yl)pyrazol-3-yl]thieno[3,2-b]pyridine-5,7-diamine;7-N-[(3S)-1-methylpyrrolidin-3-yl]-2-(1H-pyrazol-5-yl)thieno[3,2-b]pyridine-5,7-diamine
CID 164058480

Frequently Asked Questions

What is the IUPAC name of 5-[[5-amino-2-[2-(oxan-2-yl)pyrazol-3-yl]thieno[3,2-b]pyridin-7-yl]amino]pentan-2-one;5-aminopentan-2-one;5-[[5-amino-2-(1H-pyrazol-5-yl)thieno[3,2-b]pyridin-7-yl]amino]pentan-2-one;7-chloro-2-[2-(oxan-2-yl)pyrazol-3-yl]thieno[3,2-b]pyridin-5-amine;4-methylbenzenesulfonic acid?
The IUPAC name of 5-[[5-amino-2-[2-(oxan-2-yl)pyrazol-3-yl]thieno[3,2-b]pyridin-7-yl]amino]pentan-2-one;5-aminopentan-2-one;5-[[5-amino-2-(1H-pyrazol-5-yl)thieno[3,2-b]pyridin-7-yl]amino]pentan-2-one;7-chloro-2-[2-(oxan-2-yl)pyrazol-3-yl]thieno[3,2-b]pyridin-5-amine;4-methylbenzenesulfonic acid (CID 163654174) is 5-[[5-amino-2-[2-(oxan-2-yl)pyrazol-3-yl]thieno[3,2-b]pyridin-7-yl]amino]pentan-2-one;5-aminopentan-2-one;5-[[5-amino-2-(1H-pyrazol-5-yl)thieno[3,2-b]pyridin-7-yl]amino]pentan-2-one;7-chloro-2-[2-(oxan-2-yl)pyrazol-3-yl]thieno[3,2-b]pyridin-5-amine;4-methylbenzenesulfonic acid.
What is the SMILES notation for 5-[[5-amino-2-[2-(oxan-2-yl)pyrazol-3-yl]thieno[3,2-b]pyridin-7-yl]amino]pentan-2-one;5-aminopentan-2-one;5-[[5-amino-2-(1H-pyrazol-5-yl)thieno[3,2-b]pyridin-7-yl]amino]pentan-2-one;7-chloro-2-[2-(oxan-2-yl)pyrazol-3-yl]thieno[3,2-b]pyridin-5-amine;4-methylbenzenesulfonic acid?
The canonical SMILES for 5-[[5-amino-2-[2-(oxan-2-yl)pyrazol-3-yl]thieno[3,2-b]pyridin-7-yl]amino]pentan-2-one;5-aminopentan-2-one;5-[[5-amino-2-(1H-pyrazol-5-yl)thieno[3,2-b]pyridin-7-yl]amino]pentan-2-one;7-chloro-2-[2-(oxan-2-yl)pyrazol-3-yl]thieno[3,2-b]pyridin-5-amine;4-methylbenzenesulfonic acid is CC(=O)CCCN.CC(=O)CCCNc1cc(N)nc2cc(-c3ccn[nH]3)sc12.CC(=O)CCCNc1cc(N)nc2cc(-c3ccnn3C3CCCCO3)sc12.Cc1ccc(S(=O)(=O)O)cc1.Nc1cc(Cl)c2sc(-c3ccnn3C3CCCCO3)cc2n1.
What is the InChIKey of 5-[[5-amino-2-[2-(oxan-2-yl)pyrazol-3-yl]thieno[3,2-b]pyridin-7-yl]amino]pentan-2-one;5-aminopentan-2-one;5-[[5-amino-2-(1H-pyrazol-5-yl)thieno[3,2-b]pyridin-7-yl]amino]pentan-2-one;7-chloro-2-[2-(oxan-2-yl)pyrazol-3-yl]thieno[3,2-b]pyridin-5-amine;4-methylbenzenesulfonic acid?
The InChIKey is MROXINOUMLHSDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N5O2S.C15H15ClN4OS.C15H17N5OS.C7H8O3S.C5H11NO/c1-13(26)5-4-8-22-14-12-18(21)24-15-11-17(28-20(14)15)16-7-9-23-25(16)19-6-2-3-10-27-19;16-9-7-13(17)19-10-8-12(22-15(9)10)11-4-5-18-20(11)14-3-1-2-6-21-14;1-9(21)3-2-5-17-11-8-14(16)19-12-7-13(22-15(11)12)10-4-6-18-20-10;1-6-2-4-7(5-3-6)11(8,9)10;1-5(7)3-2-4-6/h7,9,11-12,19H,2-6,8,10H2,1H3,(H3,21,22,24);4-5,7-8,14H,1-3,6H2,(H2,17,19);4,6-8H,2-3,5H2,1H3,(H,18,20)(H3,16,17,19);2-5H,1H3,(H,8,9,10);2-4,6H2,1H3.
What are the key properties of 5-[[5-amino-2-[2-(oxan-2-yl)pyrazol-3-yl]thieno[3,2-b]pyridin-7-yl]amino]pentan-2-one;5-aminopentan-2-one;5-[[5-amino-2-(1H-pyrazol-5-yl)thieno[3,2-b]pyridin-7-yl]amino]pentan-2-one;7-chloro-2-[2-(oxan-2-yl)pyrazol-3-yl]thieno[3,2-b]pyridin-5-amine;4-methylbenzenesulfonic acid?
5-[[5-amino-2-[2-(oxan-2-yl)pyrazol-3-yl]thieno[3,2-b]pyridin-7-yl]amino]pentan-2-one;5-aminopentan-2-one;5-[[5-amino-2-(1H-pyrazol-5-yl)thieno[3,2-b]pyridin-7-yl]amino]pentan-2-one;7-chloro-2-[2-(oxan-2-yl)pyrazol-3-yl]thieno[3,2-b]pyridin-5-amine;4-methylbenzenesulfonic acid has a molecular weight of 1323.11 g/mol, XLogP of 12.92, 19 rotatable bonds, 8 hydrogen bond donors, and 24 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[5-amino-2-[2-(oxan-2-yl)pyrazol-3-yl]thieno[3,2-b]pyridin-7-yl]amino]pentan-2-one;5-aminopentan-2-one;5-[[5-amino-2-(1H-pyrazol-5-yl)thieno[3,2-b]pyridin-7-yl]amino]pentan-2-one;7-chloro-2-[2-(oxan-2-yl)pyrazol-3-yl]thieno[3,2-b]pyridin-5-amine;4-methylbenzenesulfonic acid is sourced from PubChem (CID 163654174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).