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

C59H70ClN15O8S4 — CID 163533818

IUPAC3-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
SMILESCc1ccc(S(=O)(=O)O)cc1.NC1CC(O)C1.Nc1cc(Cl)c2sc(-c3ccnn3C3CCCCO3)cc2n1.Nc1cc(NC2CC(O)C2)c2sc(-c3ccn[nH]3)cc2n1.Nc1cc(NC2CC(O)C2)c2sc(-c3ccnn3C3CCCCO3)cc2n1
InChIInChI=1S/C19H23N5O2S.C15H15ClN4OS.C14H15N5OS.C7H8O3S.C4H9NO/c20-17-10-14(22-11-7-12(25)8-11)19-13(23-17)9-16(27-19)15-4-5-21-24(15)18-3-1-2-6-26-18;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;15-13-6-11(17-7-3-8(20)4-7)14-10(18-13)5-12(21-14)9-1-2-16-19-9;1-6-2-4-7(5-3-6)11(8,9)10;5-3-1-4(6)2-3/h4-5,9-12,18,25H,1-3,6-8H2,(H3,20,22,23);4-5,7-8,14H,1-3,6H2,(H2,17,19);1-2,5-8,20H,3-4H2,(H,16,19)(H3,15,17,18);2-5H,1H3,(H,8,9,10);3-4,6H,1-2,5H2
InChIKeyZZFHWYZFTZHMJC-UHFFFAOYSA-N
MW1281.03 g/mol
LogP10.38
Rot. Bonds10

About 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

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 (PubChem CID 163533818) has the molecular formula C59H70ClN15O8S4 and a molecular weight of 1281.03 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name3-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
PubChem CID163533818
Molecular FormulaC59H70ClN15O8S4
Molecular Weight1281.03 g/mol
Exact Mass1279.41
IUPAC Name3-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
SMILESCc1ccc(S(=O)(=O)O)cc1.NC1CC(O)C1.Nc1cc(Cl)c2sc(-c3ccnn3C3CCCCO3)cc2n1.Nc1cc(NC2CC(O)C2)c2sc(-c3ccn[nH]3)cc2n1.Nc1cc(NC2CC(O)C2)c2sc(-c3ccnn3C3CCCCO3)cc2n1
InChIInChI=1S/C19H23N5O2S.C15H15ClN4OS.C14H15N5OS.C7H8O3S.C4H9NO/c20-17-10-14(22-11-7-12(25)8-11)19-13(23-17)9-16(27-19)15-4-5-21-24(15)18-3-1-2-6-26-18;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;15-13-6-11(17-7-3-8(20)4-7)14-10(18-13)5-12(21-14)9-1-2-16-19-9;1-6-2-4-7(5-3-6)11(8,9)10;5-3-1-4(6)2-3/h4-5,9-12,18,25H,1-3,6-8H2,(H3,20,22,23);4-5,7-8,14H,1-3,6H2,(H2,17,19);1-2,5-8,20H,3-4H2,(H,16,19)(H3,15,17,18);2-5H,1H3,(H,8,9,10);3-4,6H,1-2,5H2
InChIKeyZZFHWYZFTZHMJC-UHFFFAOYSA-N
XLogP10.38
TPSA364.65 Ų
H-Bond Donors11
H-Bond Acceptors24
Rotatable Bonds10
Heavy Atoms87
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001281.03
LogP ≤ 510.38
H-Bond Donors ≤ 511
H-Bond Acceptors ≤ 1024

Computed Properties (RDKit)

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

Analyze 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 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
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
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
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
7-chloro-2-[2-(oxan-2-yl)pyrazol-3-yl]thieno[3,2-b]pyridin-5-amine;1-methylazetidin-3-amine;7-N-(1-methylazetidin-3-yl)-2-[2-(oxan-2-yl)pyrazol-3-yl]thieno[3,2-b]pyridine-5,7-diamine;7-N-(1-methylazetidin-3-yl)-2-(1H-pyrazol-5-yl)thieno[3,2-b]pyridine-5,7-diamine
CID 163775081
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

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is Cc1ccc(S(=O)(=O)O)cc1.NC1CC(O)C1.Nc1cc(Cl)c2sc(-c3ccnn3C3CCCCO3)cc2n1.Nc1cc(NC2CC(O)C2)c2sc(-c3ccn[nH]3)cc2n1.Nc1cc(NC2CC(O)C2)c2sc(-c3ccnn3C3CCCCO3)cc2n1.
What is the InChIKey of 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?
The InChIKey is ZZFHWYZFTZHMJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N5O2S.C15H15ClN4OS.C14H15N5OS.C7H8O3S.C4H9NO/c20-17-10-14(22-11-7-12(25)8-11)19-13(23-17)9-16(27-19)15-4-5-21-24(15)18-3-1-2-6-26-18;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;15-13-6-11(17-7-3-8(20)4-7)14-10(18-13)5-12(21-14)9-1-2-16-19-9;1-6-2-4-7(5-3-6)11(8,9)10;5-3-1-4(6)2-3/h4-5,9-12,18,25H,1-3,6-8H2,(H3,20,22,23);4-5,7-8,14H,1-3,6H2,(H2,17,19);1-2,5-8,20H,3-4H2,(H,16,19)(H3,15,17,18);2-5H,1H3,(H,8,9,10);3-4,6H,1-2,5H2.
What are the key properties of 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?
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 has a molecular weight of 1281.03 g/mol, XLogP of 10.38, 10 rotatable bonds, 11 hydrogen bond donors, and 24 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 163533818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).