(2S)-2-[[5-amino-2-(1H-pyrazol-5-yl)thieno[3,2-b]pyridin-7-yl]amino]butan-1-ol;3-[[5-amino-2-(1H-pyrazol-5-yl)thieno[3,2-b]pyridin-7-yl]amino]-1-methylcyclobutan-1-ol;3-[[5-amino-2-(1H-pyrazol-5-yl)thieno[3,2-b]pyridin-7-yl]-methylamino]propan-1-ol;7-N-(4-methylcyclohexyl)-2-(1H-pyrazol-5-yl)thieno[3,2-b]pyridine-5,7-diamine;2-(1H-pyrazol-5-yl)-7-N-[(1S)-1-[3-(trifluoromethyl)phenyl]ethyl]thieno[3,2-b]pyridine-5,7-diamine

C79H88F3N25O3S5 — CID 163703587

About (2S)-2-[[5-amino-2-(1H-pyrazol-5-yl)thieno[3,2-b]pyridin-7-yl]amino]butan-1-ol;3-[[5-amino-2-(1H-pyrazol-5-yl)thieno[3,2-b]pyridin-7-yl]amino]-1-methylcyclobutan-1-ol;3-[[5-amino-2-(1H-pyrazol-5-yl)thieno[3,2-b]pyridin-7-yl]-methylamino]propan-1-ol;7-N-(4-methylcyclohexyl)-2-(1H-pyrazol-5-yl)thieno[3,2-b]pyridine-5,7-diamine;2-(1H-pyrazol-5-yl)-7-N-[(1S)-1-[3-(trifluoromethyl)phenyl]ethyl]thieno[3,2-b]pyridine-5,7-diamine

(2S)-2-[[5-amino-2-(1H-pyrazol-5-yl)thieno[3,2-b]pyridin-7-yl]amino]butan-1-ol;3-[[5-amino-2-(1H-pyrazol-5-yl)thieno[3,2-b]pyridin-7-yl]amino]-1-methylcyclobutan-1-ol;3-[[5-amino-2-(1H-pyrazol-5-yl)thieno[3,2-b]pyridin-7-yl]-methylamino]propan-1-ol;7-N-(4-methylcyclohexyl)-2-(1H-pyrazol-5-yl)thieno[3,2-b]pyridine-5,7-diamine;2-(1H-pyrazol-5-yl)-7-N-[(1S)-1-[3-(trifluoromethyl)phenyl]ethyl]thieno[3,2-b]pyridine-5,7-diamine (PubChem CID 163703587) has the molecular formula C79H88F3N25O3S5 and a molecular weight of 1653.07 g/mol. Its IUPAC name is (2S)-2-[[5-amino-2-(1H-pyrazol-5-yl)thieno[3,2-b]pyridin-7-yl]amino]butan-1-ol;3-[[5-amino-2-(1H-pyrazol-5-yl)thieno[3,2-b]pyridin-7-yl]amino]-1-methylcyclobutan-1-ol;3-[[5-amino-2-(1H-pyrazol-5-yl)thieno[3,2-b]pyridin-7-yl]-methylamino]propan-1-ol;7-N-(4-methylcyclohexyl)-2-(1H-pyrazol-5-yl)thieno[3,2-b]pyridine-5,7-diamine;2-(1H-pyrazol-5-yl)-7-N-[(1S)-1-[3-(trifluoromethyl)phenyl]ethyl]thieno[3,2-b]pyridine-5,7-diamine.

Molecular Properties

• Compound Name: (2S)-2-[[5-amino-2-(1H-pyrazol-5-yl)thieno[3,2-b]pyridin-7-yl]amino]butan-1-ol;3-[[5-amino-2-(1H-pyrazol-5-yl)thieno[3,2-b]pyridin-7-yl]amino]-1-methylcyclobutan-1-ol;3-[[5-amino-2-(1H-pyrazol-5-yl)thieno[3,2-b]pyridin-7-yl]-methylamino]propan-1-ol;7-N-(4-methylcyclohexyl)-2-(1H-pyrazol-5-yl)thieno[3,2-b]pyridine-5,7-diamine;2-(1H-pyrazol-5-yl)-7-N-[(1S)-1-[3-(trifluoromethyl)phenyl]ethyl]thieno[3,2-b]pyridine-5,7-diamine
• PubChem CID: 163703587
• Molecular Formula: C79H88F3N25O3S5
• Molecular Weight: 1653.07 g/mol
• Exact Mass: 1651.61
• IUPAC Name: (2S)-2-[[5-amino-2-(1H-pyrazol-5-yl)thieno[3,2-b]pyridin-7-yl]amino]butan-1-ol;3-[[5-amino-2-(1H-pyrazol-5-yl)thieno[3,2-b]pyridin-7-yl]amino]-1-methylcyclobutan-1-ol;3-[[5-amino-2-(1H-pyrazol-5-yl)thieno[3,2-b]pyridin-7-yl]-methylamino]propan-1-ol;7-N-(4-methylcyclohexyl)-2-(1H-pyrazol-5-yl)thieno[3,2-b]pyridine-5,7-diamine;2-(1H-pyrazol-5-yl)-7-N-[(1S)-1-[3-(trifluoromethyl)phenyl]ethyl]thieno[3,2-b]pyridine-5,7-diamine
• SMILES: CC1(O)CC(Nc2cc(N)nc3cc(-c4ccn[nH]4)sc23)C1.CC1CCC(Nc2cc(N)nc3cc(-c4ccn[nH]4)sc23)CC1.CC[C@@H](CO)Nc1cc(N)nc2cc(-c3ccn[nH]3)sc12.CN(CCCO)c1cc(N)nc2cc(-c3ccn[nH]3)sc12.C[C@H](Nc1cc(N)nc2cc(-c3ccn[nH]3)sc12)c1cccc(C(F)(F)F)c1
• InChI: InChI=1S/C19H16F3N5S.C17H21N5S.C15H17N5OS.2C14H17N5OS/c1-10(11-3-2-4-12(7-11)19(20,21)22)25-15-9-17(23)26-14-8-16(28-18(14)15)13-5-6-24-27-13;1-10-2-4-11(5-3-10)20-14-9-16(18)21-13-8-15(23-17(13)14)12-6-7-19-22-12;1-15(21)6-8(7-15)18-11-5-13(16)19-10-4-12(22-14(10)11)9-2-3-17-20-9;1-19(5-2-6-20)11-8-13(15)17-10-7-12(21-14(10)11)9-3-4-16-18-9;1-2-8(7-20)17-11-6-13(15)18-10-5-12(21-14(10)11)9-3-4-16-19-9/h2-10H,1H3,(H,24,27)(H3,23,25,26);6-11H,2-5H2,1H3,(H,19,22)(H3,18,20,21);2-5,8,21H,6-7H2,1H3,(H,17,20)(H3,16,18,19);3-4,7-8,20H,2,5-6H2,1H3,(H2,15,17)(H,16,18);3-6,8,20H,2,7H2,1H3,(H,16,19)(H3,15,17,18)/t10-;;;;8-/m0...0/s1
• InChIKey: KDDFLVJBCYZKME-CMLDPNRSSA-N
• XLogP: 16.85
• TPSA: 450.00 Ų
• H-Bond Donors: 17
• H-Bond Acceptors: 28
• Rotatable Bonds: 20
• Heavy Atoms: 115
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1653.07
LogP ≤ 5	16.85
H-Bond Donors ≤ 5	17
H-Bond Acceptors ≤ 10	28

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[[5-amino-2-(1H-pyrazol-5-yl)thieno[3,2-b]pyridin-7-yl]amino]butan-1-ol;3-[[5-amino-2-(1H-pyrazol-5-yl)thieno[3,2-b]pyridin-7-yl]amino]-1-methylcyclobutan-1-ol;3-[[5-amino-2-(1H-pyrazol-5-yl)thieno[3,2-b]pyridin-7-yl]-methylamino]propan-1-ol;7-N-(4-methylcyclohexyl)-2-(1H-pyrazol-5-yl)thieno[3,2-b]pyridine-5,7-diamine;2-(1H-pyrazol-5-yl)-7-N-[(1S)-1-[3-(trifluoromethyl)phenyl]ethyl]thieno[3,2-b]pyridine-5,7-diamine?

The IUPAC name of (2S)-2-[[5-amino-2-(1H-pyrazol-5-yl)thieno[3,2-b]pyridin-7-yl]amino]butan-1-ol;3-[[5-amino-2-(1H-pyrazol-5-yl)thieno[3,2-b]pyridin-7-yl]amino]-1-methylcyclobutan-1-ol;3-[[5-amino-2-(1H-pyrazol-5-yl)thieno[3,2-b]pyridin-7-yl]-methylamino]propan-1-ol;7-N-(4-methylcyclohexyl)-2-(1H-pyrazol-5-yl)thieno[3,2-b]pyridine-5,7-diamine;2-(1H-pyrazol-5-yl)-7-N-[(1S)-1-[3-(trifluoromethyl)phenyl]ethyl]thieno[3,2-b]pyridine-5,7-diamine (CID 163703587) is (2S)-2-[[5-amino-2-(1H-pyrazol-5-yl)thieno[3,2-b]pyridin-7-yl]amino]butan-1-ol;3-[[5-amino-2-(1H-pyrazol-5-yl)thieno[3,2-b]pyridin-7-yl]amino]-1-methylcyclobutan-1-ol;3-[[5-amino-2-(1H-pyrazol-5-yl)thieno[3,2-b]pyridin-7-yl]-methylamino]propan-1-ol;7-N-(4-methylcyclohexyl)-2-(1H-pyrazol-5-yl)thieno[3,2-b]pyridine-5,7-diamine;2-(1H-pyrazol-5-yl)-7-N-[(1S)-1-[3-(trifluoromethyl)phenyl]ethyl]thieno[3,2-b]pyridine-5,7-diamine.

What is the SMILES notation for (2S)-2-[[5-amino-2-(1H-pyrazol-5-yl)thieno[3,2-b]pyridin-7-yl]amino]butan-1-ol;3-[[5-amino-2-(1H-pyrazol-5-yl)thieno[3,2-b]pyridin-7-yl]amino]-1-methylcyclobutan-1-ol;3-[[5-amino-2-(1H-pyrazol-5-yl)thieno[3,2-b]pyridin-7-yl]-methylamino]propan-1-ol;7-N-(4-methylcyclohexyl)-2-(1H-pyrazol-5-yl)thieno[3,2-b]pyridine-5,7-diamine;2-(1H-pyrazol-5-yl)-7-N-[(1S)-1-[3-(trifluoromethyl)phenyl]ethyl]thieno[3,2-b]pyridine-5,7-diamine?

The canonical SMILES for (2S)-2-[[5-amino-2-(1H-pyrazol-5-yl)thieno[3,2-b]pyridin-7-yl]amino]butan-1-ol;3-[[5-amino-2-(1H-pyrazol-5-yl)thieno[3,2-b]pyridin-7-yl]amino]-1-methylcyclobutan-1-ol;3-[[5-amino-2-(1H-pyrazol-5-yl)thieno[3,2-b]pyridin-7-yl]-methylamino]propan-1-ol;7-N-(4-methylcyclohexyl)-2-(1H-pyrazol-5-yl)thieno[3,2-b]pyridine-5,7-diamine;2-(1H-pyrazol-5-yl)-7-N-[(1S)-1-[3-(trifluoromethyl)phenyl]ethyl]thieno[3,2-b]pyridine-5,7-diamine is CC1(O)CC(Nc2cc(N)nc3cc(-c4ccn[nH]4)sc23)C1.CC1CCC(Nc2cc(N)nc3cc(-c4ccn[nH]4)sc23)CC1.CC[C@@H](CO)Nc1cc(N)nc2cc(-c3ccn[nH]3)sc12.CN(CCCO)c1cc(N)nc2cc(-c3ccn[nH]3)sc12.C[C@H](Nc1cc(N)nc2cc(-c3ccn[nH]3)sc12)c1cccc(C(F)(F)F)c1.

What is the InChIKey of (2S)-2-[[5-amino-2-(1H-pyrazol-5-yl)thieno[3,2-b]pyridin-7-yl]amino]butan-1-ol;3-[[5-amino-2-(1H-pyrazol-5-yl)thieno[3,2-b]pyridin-7-yl]amino]-1-methylcyclobutan-1-ol;3-[[5-amino-2-(1H-pyrazol-5-yl)thieno[3,2-b]pyridin-7-yl]-methylamino]propan-1-ol;7-N-(4-methylcyclohexyl)-2-(1H-pyrazol-5-yl)thieno[3,2-b]pyridine-5,7-diamine;2-(1H-pyrazol-5-yl)-7-N-[(1S)-1-[3-(trifluoromethyl)phenyl]ethyl]thieno[3,2-b]pyridine-5,7-diamine?

The InChIKey is KDDFLVJBCYZKME-CMLDPNRSSA-N. The full InChI is InChI=1S/C19H16F3N5S.C17H21N5S.C15H17N5OS.2C14H17N5OS/c1-10(11-3-2-4-12(7-11)19(20,21)22)25-15-9-17(23)26-14-8-16(28-18(14)15)13-5-6-24-27-13;1-10-2-4-11(5-3-10)20-14-9-16(18)21-13-8-15(23-17(13)14)12-6-7-19-22-12;1-15(21)6-8(7-15)18-11-5-13(16)19-10-4-12(22-14(10)11)9-2-3-17-20-9;1-19(5-2-6-20)11-8-13(15)17-10-7-12(21-14(10)11)9-3-4-16-18-9;1-2-8(7-20)17-11-6-13(15)18-10-5-12(21-14(10)11)9-3-4-16-19-9/h2-10H,1H3,(H,24,27)(H3,23,25,26);6-11H,2-5H2,1H3,(H,19,22)(H3,18,20,21);2-5,8,21H,6-7H2,1H3,(H,17,20)(H3,16,18,19);3-4,7-8,20H,2,5-6H2,1H3,(H2,15,17)(H,16,18);3-6,8,20H,2,7H2,1H3,(H,16,19)(H3,15,17,18)/t10-;;;;8-/m0...0/s1.

What are the key properties of (2S)-2-[[5-amino-2-(1H-pyrazol-5-yl)thieno[3,2-b]pyridin-7-yl]amino]butan-1-ol;3-[[5-amino-2-(1H-pyrazol-5-yl)thieno[3,2-b]pyridin-7-yl]amino]-1-methylcyclobutan-1-ol;3-[[5-amino-2-(1H-pyrazol-5-yl)thieno[3,2-b]pyridin-7-yl]-methylamino]propan-1-ol;7-N-(4-methylcyclohexyl)-2-(1H-pyrazol-5-yl)thieno[3,2-b]pyridine-5,7-diamine;2-(1H-pyrazol-5-yl)-7-N-[(1S)-1-[3-(trifluoromethyl)phenyl]ethyl]thieno[3,2-b]pyridine-5,7-diamine?

(2S)-2-[[5-amino-2-(1H-pyrazol-5-yl)thieno[3,2-b]pyridin-7-yl]amino]butan-1-ol;3-[[5-amino-2-(1H-pyrazol-5-yl)thieno[3,2-b]pyridin-7-yl]amino]-1-methylcyclobutan-1-ol;3-[[5-amino-2-(1H-pyrazol-5-yl)thieno[3,2-b]pyridin-7-yl]-methylamino]propan-1-ol;7-N-(4-methylcyclohexyl)-2-(1H-pyrazol-5-yl)thieno[3,2-b]pyridine-5,7-diamine;2-(1H-pyrazol-5-yl)-7-N-[(1S)-1-[3-(trifluoromethyl)phenyl]ethyl]thieno[3,2-b]pyridine-5,7-diamine has a molecular weight of 1653.07 g/mol, XLogP of 16.85, 20 rotatable bonds, 17 hydrogen bond donors, and 28 hydrogen bond acceptors.

Where does this data come from?

All data for (2S)-2-[[5-amino-2-(1H-pyrazol-5-yl)thieno[3,2-b]pyridin-7-yl]amino]butan-1-ol;3-[[5-amino-2-(1H-pyrazol-5-yl)thieno[3,2-b]pyridin-7-yl]amino]-1-methylcyclobutan-1-ol;3-[[5-amino-2-(1H-pyrazol-5-yl)thieno[3,2-b]pyridin-7-yl]-methylamino]propan-1-ol;7-N-(4-methylcyclohexyl)-2-(1H-pyrazol-5-yl)thieno[3,2-b]pyridine-5,7-diamine;2-(1H-pyrazol-5-yl)-7-N-[(1S)-1-[3-(trifluoromethyl)phenyl]ethyl]thieno[3,2-b]pyridine-5,7-diamine is sourced from PubChem (CID 163703587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).