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

C52H65ClN18O2S3 — CID 163775081

About 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

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 (PubChem CID 163775081) has the molecular formula C52H65ClN18O2S3 and a molecular weight of 1105.87 g/mol. Its IUPAC name is 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.

Molecular Properties

• Compound Name: 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
• PubChem CID: 163775081
• Molecular Formula: C52H65ClN18O2S3
• Molecular Weight: 1105.87 g/mol
• Exact Mass: 1104.44
• IUPAC Name: 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
• SMILES: CN1CC(N)C1.CN1CC(Nc2cc(N)nc3cc(-c4ccn[nH]4)sc23)C1.CN1CC(Nc2cc(N)nc3cc(-c4ccnn4C4CCCCO4)sc23)C1.Nc1cc(Cl)c2sc(-c3ccnn3C3CCCCO3)cc2n1
• InChI: InChI=1S/C19H24N6OS.C15H15ClN4OS.C14H16N6S.C4H10N2/c1-24-10-12(11-24)22-14-9-17(20)23-13-8-16(27-19(13)14)15-5-6-21-25(15)18-4-2-3-7-26-18;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;1-20-6-8(7-20)17-11-5-13(15)18-10-4-12(21-14(10)11)9-2-3-16-19-9;1-6-2-4(5)3-6/h5-6,8-9,12,18H,2-4,7,10-11H2,1H3,(H3,20,22,23);4-5,7-8,14H,1-3,6H2,(H2,17,19);2-5,8H,6-7H2,1H3,(H,16,19)(H3,15,17,18);4H,2-3,5H2,1H3
• InChIKey: MJSQZOBCICIUSW-UHFFFAOYSA-N
• XLogP: 8.52
• TPSA: 259.31 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 22
• Rotatable Bonds: 9
• Heavy Atoms: 76
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1105.87
LogP ≤ 5	8.52
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	22

Frequently Asked Questions

What is the IUPAC name of 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?

The IUPAC name of 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) is 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.

What is the SMILES notation for 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?

The canonical SMILES for 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 is CN1CC(N)C1.CN1CC(Nc2cc(N)nc3cc(-c4ccn[nH]4)sc23)C1.CN1CC(Nc2cc(N)nc3cc(-c4ccnn4C4CCCCO4)sc23)C1.Nc1cc(Cl)c2sc(-c3ccnn3C3CCCCO3)cc2n1.

What is the InChIKey of 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?

The InChIKey is MJSQZOBCICIUSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N6OS.C15H15ClN4OS.C14H16N6S.C4H10N2/c1-24-10-12(11-24)22-14-9-17(20)23-13-8-16(27-19(13)14)15-5-6-21-25(15)18-4-2-3-7-26-18;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;1-20-6-8(7-20)17-11-5-13(15)18-10-4-12(21-14(10)11)9-2-3-16-19-9;1-6-2-4(5)3-6/h5-6,8-9,12,18H,2-4,7,10-11H2,1H3,(H3,20,22,23);4-5,7-8,14H,1-3,6H2,(H2,17,19);2-5,8H,6-7H2,1H3,(H,16,19)(H3,15,17,18);4H,2-3,5H2,1H3.

What are the key properties of 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?

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 has a molecular weight of 1105.87 g/mol, XLogP of 8.52, 9 rotatable bonds, 7 hydrogen bond donors, and 22 hydrogen bond acceptors.

Where does this data come from?

All data for 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 is sourced from PubChem (CID 163775081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).