(2S)-2-[[5-amino-2-(1H-pyrazol-5-yl)thieno[3,2-b]pyridin-7-yl]amino]propan-1-ol;7-N-(cyclopropylmethyl)-2-(1H-pyrazol-5-yl)thieno[3,2-b]pyridine-5,7-diamine;7-N-[(3R)-1-methylpiperidin-3-yl]-2-(1H-pyrazol-5-yl)thieno[3,2-b]pyridine-5,7-diamine;7-N-[(1-methylpyrazol-4-yl)methyl]-2-(1H-pyrazol-5-yl)thieno[3,2-b]pyridine-5,7-diamine;7-N-[[(2S)-oxolan-2-yl]methyl]-2-(1H-pyrazol-5-yl)thieno[3,2-b]pyridine-5,7-diamine

C73H82N28O2S5 — CID 163415549

About (2S)-2-[[5-amino-2-(1H-pyrazol-5-yl)thieno[3,2-b]pyridin-7-yl]amino]propan-1-ol;7-N-(cyclopropylmethyl)-2-(1H-pyrazol-5-yl)thieno[3,2-b]pyridine-5,7-diamine;7-N-[(3R)-1-methylpiperidin-3-yl]-2-(1H-pyrazol-5-yl)thieno[3,2-b]pyridine-5,7-diamine;7-N-[(1-methylpyrazol-4-yl)methyl]-2-(1H-pyrazol-5-yl)thieno[3,2-b]pyridine-5,7-diamine;7-N-[[(2S)-oxolan-2-yl]methyl]-2-(1H-pyrazol-5-yl)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]propan-1-ol;7-N-(cyclopropylmethyl)-2-(1H-pyrazol-5-yl)thieno[3,2-b]pyridine-5,7-diamine;7-N-[(3R)-1-methylpiperidin-3-yl]-2-(1H-pyrazol-5-yl)thieno[3,2-b]pyridine-5,7-diamine;7-N-[(1-methylpyrazol-4-yl)methyl]-2-(1H-pyrazol-5-yl)thieno[3,2-b]pyridine-5,7-diamine;7-N-[[(2S)-oxolan-2-yl]methyl]-2-(1H-pyrazol-5-yl)thieno[3,2-b]pyridine-5,7-diamine (PubChem CID 163415549) has the molecular formula C73H82N28O2S5 and a molecular weight of 1543.99 g/mol. Its IUPAC name is (2S)-2-[[5-amino-2-(1H-pyrazol-5-yl)thieno[3,2-b]pyridin-7-yl]amino]propan-1-ol;7-N-(cyclopropylmethyl)-2-(1H-pyrazol-5-yl)thieno[3,2-b]pyridine-5,7-diamine;7-N-[(3R)-1-methylpiperidin-3-yl]-2-(1H-pyrazol-5-yl)thieno[3,2-b]pyridine-5,7-diamine;7-N-[(1-methylpyrazol-4-yl)methyl]-2-(1H-pyrazol-5-yl)thieno[3,2-b]pyridine-5,7-diamine;7-N-[[(2S)-oxolan-2-yl]methyl]-2-(1H-pyrazol-5-yl)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]propan-1-ol;7-N-(cyclopropylmethyl)-2-(1H-pyrazol-5-yl)thieno[3,2-b]pyridine-5,7-diamine;7-N-[(3R)-1-methylpiperidin-3-yl]-2-(1H-pyrazol-5-yl)thieno[3,2-b]pyridine-5,7-diamine;7-N-[(1-methylpyrazol-4-yl)methyl]-2-(1H-pyrazol-5-yl)thieno[3,2-b]pyridine-5,7-diamine;7-N-[[(2S)-oxolan-2-yl]methyl]-2-(1H-pyrazol-5-yl)thieno[3,2-b]pyridine-5,7-diamine
• PubChem CID: 163415549
• Molecular Formula: C73H82N28O2S5
• Molecular Weight: 1543.99 g/mol
• Exact Mass: 1542.58
• IUPAC Name: (2S)-2-[[5-amino-2-(1H-pyrazol-5-yl)thieno[3,2-b]pyridin-7-yl]amino]propan-1-ol;7-N-(cyclopropylmethyl)-2-(1H-pyrazol-5-yl)thieno[3,2-b]pyridine-5,7-diamine;7-N-[(3R)-1-methylpiperidin-3-yl]-2-(1H-pyrazol-5-yl)thieno[3,2-b]pyridine-5,7-diamine;7-N-[(1-methylpyrazol-4-yl)methyl]-2-(1H-pyrazol-5-yl)thieno[3,2-b]pyridine-5,7-diamine;7-N-[[(2S)-oxolan-2-yl]methyl]-2-(1H-pyrazol-5-yl)thieno[3,2-b]pyridine-5,7-diamine
• SMILES: CN1CCC[C@@H](Nc2cc(N)nc3cc(-c4ccn[nH]4)sc23)C1.C[C@@H](CO)Nc1cc(N)nc2cc(-c3ccn[nH]3)sc12.Cn1cc(CNc2cc(N)nc3cc(-c4ccn[nH]4)sc23)cn1.Nc1cc(NCC2CC2)c2sc(-c3ccn[nH]3)cc2n1.Nc1cc(NC[C@@H]2CCCO2)c2sc(-c3ccn[nH]3)cc2n1
• InChI: InChI=1S/C16H20N6S.C15H15N7S.C15H17N5OS.C14H15N5S.C13H15N5OS/c1-22-6-2-3-10(9-22)19-13-8-15(17)20-12-7-14(23-16(12)13)11-4-5-18-21-11;1-22-8-9(7-19-22)6-17-11-5-14(16)20-12-4-13(23-15(11)12)10-2-3-18-21-10;16-14-7-11(17-8-9-2-1-5-21-9)15-12(19-14)6-13(22-15)10-3-4-18-20-10;15-13-6-10(16-7-8-1-2-8)14-11(18-13)5-12(20-14)9-3-4-17-19-9;1-7(6-19)16-10-5-12(14)17-9-4-11(20-13(9)10)8-2-3-15-18-8/h4-5,7-8,10H,2-3,6,9H2,1H3,(H,18,21)(H3,17,19,20);2-5,7-8H,6H2,1H3,(H,18,21)(H3,16,17,20);3-4,6-7,9H,1-2,5,8H2,(H,18,20)(H3,16,17,19);3-6,8H,1-2,7H2,(H,17,19)(H3,15,16,18);2-5,7,19H,6H2,1H3,(H,15,18)(H3,14,16,17)/t10-;;9-;;7-/m1.0.0/s1
• InChIKey: AEBQKOUURUATBQ-YDZTWJFQSA-N
• XLogP: 13.40
• TPSA: 448.62 Ų
• H-Bond Donors: 16
• H-Bond Acceptors: 30
• Rotatable Bonds: 19
• Heavy Atoms: 108
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1543.99
LogP ≤ 5	13.40
H-Bond Donors ≤ 5	16
H-Bond Acceptors ≤ 10	30

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]propan-1-ol;7-N-(cyclopropylmethyl)-2-(1H-pyrazol-5-yl)thieno[3,2-b]pyridine-5,7-diamine;7-N-[(3R)-1-methylpiperidin-3-yl]-2-(1H-pyrazol-5-yl)thieno[3,2-b]pyridine-5,7-diamine;7-N-[(1-methylpyrazol-4-yl)methyl]-2-(1H-pyrazol-5-yl)thieno[3,2-b]pyridine-5,7-diamine;7-N-[[(2S)-oxolan-2-yl]methyl]-2-(1H-pyrazol-5-yl)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]propan-1-ol;7-N-(cyclopropylmethyl)-2-(1H-pyrazol-5-yl)thieno[3,2-b]pyridine-5,7-diamine;7-N-[(3R)-1-methylpiperidin-3-yl]-2-(1H-pyrazol-5-yl)thieno[3,2-b]pyridine-5,7-diamine;7-N-[(1-methylpyrazol-4-yl)methyl]-2-(1H-pyrazol-5-yl)thieno[3,2-b]pyridine-5,7-diamine;7-N-[[(2S)-oxolan-2-yl]methyl]-2-(1H-pyrazol-5-yl)thieno[3,2-b]pyridine-5,7-diamine (CID 163415549) is (2S)-2-[[5-amino-2-(1H-pyrazol-5-yl)thieno[3,2-b]pyridin-7-yl]amino]propan-1-ol;7-N-(cyclopropylmethyl)-2-(1H-pyrazol-5-yl)thieno[3,2-b]pyridine-5,7-diamine;7-N-[(3R)-1-methylpiperidin-3-yl]-2-(1H-pyrazol-5-yl)thieno[3,2-b]pyridine-5,7-diamine;7-N-[(1-methylpyrazol-4-yl)methyl]-2-(1H-pyrazol-5-yl)thieno[3,2-b]pyridine-5,7-diamine;7-N-[[(2S)-oxolan-2-yl]methyl]-2-(1H-pyrazol-5-yl)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]propan-1-ol;7-N-(cyclopropylmethyl)-2-(1H-pyrazol-5-yl)thieno[3,2-b]pyridine-5,7-diamine;7-N-[(3R)-1-methylpiperidin-3-yl]-2-(1H-pyrazol-5-yl)thieno[3,2-b]pyridine-5,7-diamine;7-N-[(1-methylpyrazol-4-yl)methyl]-2-(1H-pyrazol-5-yl)thieno[3,2-b]pyridine-5,7-diamine;7-N-[[(2S)-oxolan-2-yl]methyl]-2-(1H-pyrazol-5-yl)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]propan-1-ol;7-N-(cyclopropylmethyl)-2-(1H-pyrazol-5-yl)thieno[3,2-b]pyridine-5,7-diamine;7-N-[(3R)-1-methylpiperidin-3-yl]-2-(1H-pyrazol-5-yl)thieno[3,2-b]pyridine-5,7-diamine;7-N-[(1-methylpyrazol-4-yl)methyl]-2-(1H-pyrazol-5-yl)thieno[3,2-b]pyridine-5,7-diamine;7-N-[[(2S)-oxolan-2-yl]methyl]-2-(1H-pyrazol-5-yl)thieno[3,2-b]pyridine-5,7-diamine is CN1CCC[C@@H](Nc2cc(N)nc3cc(-c4ccn[nH]4)sc23)C1.C[C@@H](CO)Nc1cc(N)nc2cc(-c3ccn[nH]3)sc12.Cn1cc(CNc2cc(N)nc3cc(-c4ccn[nH]4)sc23)cn1.Nc1cc(NCC2CC2)c2sc(-c3ccn[nH]3)cc2n1.Nc1cc(NC[C@@H]2CCCO2)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]propan-1-ol;7-N-(cyclopropylmethyl)-2-(1H-pyrazol-5-yl)thieno[3,2-b]pyridine-5,7-diamine;7-N-[(3R)-1-methylpiperidin-3-yl]-2-(1H-pyrazol-5-yl)thieno[3,2-b]pyridine-5,7-diamine;7-N-[(1-methylpyrazol-4-yl)methyl]-2-(1H-pyrazol-5-yl)thieno[3,2-b]pyridine-5,7-diamine;7-N-[[(2S)-oxolan-2-yl]methyl]-2-(1H-pyrazol-5-yl)thieno[3,2-b]pyridine-5,7-diamine?

The InChIKey is AEBQKOUURUATBQ-YDZTWJFQSA-N. The full InChI is InChI=1S/C16H20N6S.C15H15N7S.C15H17N5OS.C14H15N5S.C13H15N5OS/c1-22-6-2-3-10(9-22)19-13-8-15(17)20-12-7-14(23-16(12)13)11-4-5-18-21-11;1-22-8-9(7-19-22)6-17-11-5-14(16)20-12-4-13(23-15(11)12)10-2-3-18-21-10;16-14-7-11(17-8-9-2-1-5-21-9)15-12(19-14)6-13(22-15)10-3-4-18-20-10;15-13-6-10(16-7-8-1-2-8)14-11(18-13)5-12(20-14)9-3-4-17-19-9;1-7(6-19)16-10-5-12(14)17-9-4-11(20-13(9)10)8-2-3-15-18-8/h4-5,7-8,10H,2-3,6,9H2,1H3,(H,18,21)(H3,17,19,20);2-5,7-8H,6H2,1H3,(H,18,21)(H3,16,17,20);3-4,6-7,9H,1-2,5,8H2,(H,18,20)(H3,16,17,19);3-6,8H,1-2,7H2,(H,17,19)(H3,15,16,18);2-5,7,19H,6H2,1H3,(H,15,18)(H3,14,16,17)/t10-;;9-;;7-/m1.0.0/s1.

What are the key properties of (2S)-2-[[5-amino-2-(1H-pyrazol-5-yl)thieno[3,2-b]pyridin-7-yl]amino]propan-1-ol;7-N-(cyclopropylmethyl)-2-(1H-pyrazol-5-yl)thieno[3,2-b]pyridine-5,7-diamine;7-N-[(3R)-1-methylpiperidin-3-yl]-2-(1H-pyrazol-5-yl)thieno[3,2-b]pyridine-5,7-diamine;7-N-[(1-methylpyrazol-4-yl)methyl]-2-(1H-pyrazol-5-yl)thieno[3,2-b]pyridine-5,7-diamine;7-N-[[(2S)-oxolan-2-yl]methyl]-2-(1H-pyrazol-5-yl)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]propan-1-ol;7-N-(cyclopropylmethyl)-2-(1H-pyrazol-5-yl)thieno[3,2-b]pyridine-5,7-diamine;7-N-[(3R)-1-methylpiperidin-3-yl]-2-(1H-pyrazol-5-yl)thieno[3,2-b]pyridine-5,7-diamine;7-N-[(1-methylpyrazol-4-yl)methyl]-2-(1H-pyrazol-5-yl)thieno[3,2-b]pyridine-5,7-diamine;7-N-[[(2S)-oxolan-2-yl]methyl]-2-(1H-pyrazol-5-yl)thieno[3,2-b]pyridine-5,7-diamine has a molecular weight of 1543.99 g/mol, XLogP of 13.40, 19 rotatable bonds, 16 hydrogen bond donors, and 30 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]propan-1-ol;7-N-(cyclopropylmethyl)-2-(1H-pyrazol-5-yl)thieno[3,2-b]pyridine-5,7-diamine;7-N-[(3R)-1-methylpiperidin-3-yl]-2-(1H-pyrazol-5-yl)thieno[3,2-b]pyridine-5,7-diamine;7-N-[(1-methylpyrazol-4-yl)methyl]-2-(1H-pyrazol-5-yl)thieno[3,2-b]pyridine-5,7-diamine;7-N-[[(2S)-oxolan-2-yl]methyl]-2-(1H-pyrazol-5-yl)thieno[3,2-b]pyridine-5,7-diamine is sourced from PubChem (CID 163415549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).