(2S)-2-[[5-amino-2-(1H-pyrazol-5-yl)thieno[3,2-b]pyridin-7-yl]amino]butan-1-ol;1-[2-[[5-amino-2-(1H-pyrazol-5-yl)thieno[3,2-b]pyridin-7-yl]amino]ethyl]pyrrolidin-2-one;7-N-[(2R)-1-methoxypropan-2-yl]-2-(1H-pyrazol-5-yl)thieno[3,2-b]pyridine-5,7-diamine;7-N-[(3-methyl-2-pyridinyl)methyl]-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

C80H84F3N27O3S5 — CID 163534337

About (2S)-2-[[5-amino-2-(1H-pyrazol-5-yl)thieno[3,2-b]pyridin-7-yl]amino]butan-1-ol;1-[2-[[5-amino-2-(1H-pyrazol-5-yl)thieno[3,2-b]pyridin-7-yl]amino]ethyl]pyrrolidin-2-one;7-N-[(2R)-1-methoxypropan-2-yl]-2-(1H-pyrazol-5-yl)thieno[3,2-b]pyridine-5,7-diamine;7-N-[(3-methyl-2-pyridinyl)methyl]-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;1-[2-[[5-amino-2-(1H-pyrazol-5-yl)thieno[3,2-b]pyridin-7-yl]amino]ethyl]pyrrolidin-2-one;7-N-[(2R)-1-methoxypropan-2-yl]-2-(1H-pyrazol-5-yl)thieno[3,2-b]pyridine-5,7-diamine;7-N-[(3-methyl-2-pyridinyl)methyl]-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 163534337) has the molecular formula C80H84F3N27O3S5 and a molecular weight of 1689.07 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;1-[2-[[5-amino-2-(1H-pyrazol-5-yl)thieno[3,2-b]pyridin-7-yl]amino]ethyl]pyrrolidin-2-one;7-N-[(2R)-1-methoxypropan-2-yl]-2-(1H-pyrazol-5-yl)thieno[3,2-b]pyridine-5,7-diamine;7-N-[(3-methyl-2-pyridinyl)methyl]-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;1-[2-[[5-amino-2-(1H-pyrazol-5-yl)thieno[3,2-b]pyridin-7-yl]amino]ethyl]pyrrolidin-2-one;7-N-[(2R)-1-methoxypropan-2-yl]-2-(1H-pyrazol-5-yl)thieno[3,2-b]pyridine-5,7-diamine;7-N-[(3-methyl-2-pyridinyl)methyl]-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: 163534337
• Molecular Formula: C80H84F3N27O3S5
• Molecular Weight: 1689.07 g/mol
• Exact Mass: 1687.58
• IUPAC Name: (2S)-2-[[5-amino-2-(1H-pyrazol-5-yl)thieno[3,2-b]pyridin-7-yl]amino]butan-1-ol;1-[2-[[5-amino-2-(1H-pyrazol-5-yl)thieno[3,2-b]pyridin-7-yl]amino]ethyl]pyrrolidin-2-one;7-N-[(2R)-1-methoxypropan-2-yl]-2-(1H-pyrazol-5-yl)thieno[3,2-b]pyridine-5,7-diamine;7-N-[(3-methyl-2-pyridinyl)methyl]-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: CC[C@@H](CO)Nc1cc(N)nc2cc(-c3ccn[nH]3)sc12.COC[C@@H](C)Nc1cc(N)nc2cc(-c3ccn[nH]3)sc12.C[C@H](Nc1cc(N)nc2cc(-c3ccn[nH]3)sc12)c1cccc(C(F)(F)F)c1.Cc1cccnc1CNc1cc(N)nc2cc(-c3ccn[nH]3)sc12.Nc1cc(NCCN2CCCC2=O)c2sc(-c3ccn[nH]3)cc2n1
• InChI: InChI=1S/C19H16F3N5S.C17H16N6S.C16H18N6OS.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;1-10-3-2-5-19-14(10)9-20-12-8-16(18)22-13-7-15(24-17(12)13)11-4-6-21-23-11;17-14-9-11(18-5-7-22-6-1-2-15(22)23)16-12(20-14)8-13(24-16)10-3-4-19-21-10;1-8(7-20-2)17-11-6-13(15)18-10-5-12(21-14(10)11)9-3-4-16-19-9;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);2-8H,9H2,1H3,(H,21,23)(H3,18,20,22);3-4,8-9H,1-2,5-7H2,(H,19,21)(H3,17,18,20);3-6,8H,7H2,1-2H3,(H,16,19)(H3,15,17,18);3-6,8,20H,2,7H2,1H3,(H,16,19)(H3,15,17,18)/t10-;;;2*8-/m0..10/s1
• InChIKey: DVRAYWPPOPVCPK-PRSCMPRXSA-N
• XLogP: 16.51
• TPSA: 460.76 Ų
• H-Bond Donors: 16
• H-Bond Acceptors: 29
• Rotatable Bonds: 23
• Heavy Atoms: 118
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1689.07
LogP ≤ 5	16.51
H-Bond Donors ≤ 5	16
H-Bond Acceptors ≤ 10	29

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;1-[2-[[5-amino-2-(1H-pyrazol-5-yl)thieno[3,2-b]pyridin-7-yl]amino]ethyl]pyrrolidin-2-one;7-N-[(2R)-1-methoxypropan-2-yl]-2-(1H-pyrazol-5-yl)thieno[3,2-b]pyridine-5,7-diamine;7-N-[(3-methyl-2-pyridinyl)methyl]-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;1-[2-[[5-amino-2-(1H-pyrazol-5-yl)thieno[3,2-b]pyridin-7-yl]amino]ethyl]pyrrolidin-2-one;7-N-[(2R)-1-methoxypropan-2-yl]-2-(1H-pyrazol-5-yl)thieno[3,2-b]pyridine-5,7-diamine;7-N-[(3-methyl-2-pyridinyl)methyl]-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 163534337) is (2S)-2-[[5-amino-2-(1H-pyrazol-5-yl)thieno[3,2-b]pyridin-7-yl]amino]butan-1-ol;1-[2-[[5-amino-2-(1H-pyrazol-5-yl)thieno[3,2-b]pyridin-7-yl]amino]ethyl]pyrrolidin-2-one;7-N-[(2R)-1-methoxypropan-2-yl]-2-(1H-pyrazol-5-yl)thieno[3,2-b]pyridine-5,7-diamine;7-N-[(3-methyl-2-pyridinyl)methyl]-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;1-[2-[[5-amino-2-(1H-pyrazol-5-yl)thieno[3,2-b]pyridin-7-yl]amino]ethyl]pyrrolidin-2-one;7-N-[(2R)-1-methoxypropan-2-yl]-2-(1H-pyrazol-5-yl)thieno[3,2-b]pyridine-5,7-diamine;7-N-[(3-methyl-2-pyridinyl)methyl]-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;1-[2-[[5-amino-2-(1H-pyrazol-5-yl)thieno[3,2-b]pyridin-7-yl]amino]ethyl]pyrrolidin-2-one;7-N-[(2R)-1-methoxypropan-2-yl]-2-(1H-pyrazol-5-yl)thieno[3,2-b]pyridine-5,7-diamine;7-N-[(3-methyl-2-pyridinyl)methyl]-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 CC[C@@H](CO)Nc1cc(N)nc2cc(-c3ccn[nH]3)sc12.COC[C@@H](C)Nc1cc(N)nc2cc(-c3ccn[nH]3)sc12.C[C@H](Nc1cc(N)nc2cc(-c3ccn[nH]3)sc12)c1cccc(C(F)(F)F)c1.Cc1cccnc1CNc1cc(N)nc2cc(-c3ccn[nH]3)sc12.Nc1cc(NCCN2CCCC2=O)c2sc(-c3ccn[nH]3)cc2n1.

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;1-[2-[[5-amino-2-(1H-pyrazol-5-yl)thieno[3,2-b]pyridin-7-yl]amino]ethyl]pyrrolidin-2-one;7-N-[(2R)-1-methoxypropan-2-yl]-2-(1H-pyrazol-5-yl)thieno[3,2-b]pyridine-5,7-diamine;7-N-[(3-methyl-2-pyridinyl)methyl]-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 DVRAYWPPOPVCPK-PRSCMPRXSA-N. The full InChI is InChI=1S/C19H16F3N5S.C17H16N6S.C16H18N6OS.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;1-10-3-2-5-19-14(10)9-20-12-8-16(18)22-13-7-15(24-17(12)13)11-4-6-21-23-11;17-14-9-11(18-5-7-22-6-1-2-15(22)23)16-12(20-14)8-13(24-16)10-3-4-19-21-10;1-8(7-20-2)17-11-6-13(15)18-10-5-12(21-14(10)11)9-3-4-16-19-9;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);2-8H,9H2,1H3,(H,21,23)(H3,18,20,22);3-4,8-9H,1-2,5-7H2,(H,19,21)(H3,17,18,20);3-6,8H,7H2,1-2H3,(H,16,19)(H3,15,17,18);3-6,8,20H,2,7H2,1H3,(H,16,19)(H3,15,17,18)/t10-;;;2*8-/m0..10/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;1-[2-[[5-amino-2-(1H-pyrazol-5-yl)thieno[3,2-b]pyridin-7-yl]amino]ethyl]pyrrolidin-2-one;7-N-[(2R)-1-methoxypropan-2-yl]-2-(1H-pyrazol-5-yl)thieno[3,2-b]pyridine-5,7-diamine;7-N-[(3-methyl-2-pyridinyl)methyl]-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;1-[2-[[5-amino-2-(1H-pyrazol-5-yl)thieno[3,2-b]pyridin-7-yl]amino]ethyl]pyrrolidin-2-one;7-N-[(2R)-1-methoxypropan-2-yl]-2-(1H-pyrazol-5-yl)thieno[3,2-b]pyridine-5,7-diamine;7-N-[(3-methyl-2-pyridinyl)methyl]-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 1689.07 g/mol, XLogP of 16.51, 23 rotatable bonds, 16 hydrogen bond donors, and 29 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;1-[2-[[5-amino-2-(1H-pyrazol-5-yl)thieno[3,2-b]pyridin-7-yl]amino]ethyl]pyrrolidin-2-one;7-N-[(2R)-1-methoxypropan-2-yl]-2-(1H-pyrazol-5-yl)thieno[3,2-b]pyridine-5,7-diamine;7-N-[(3-methyl-2-pyridinyl)methyl]-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 163534337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).