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

C78H94N26O3S5 — CID 163602377

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

(2S)-2-[[5-amino-3-methyl-2-(1H-pyrazol-5-yl)thieno[3,2-b]pyridin-7-yl]amino]propan-1-ol;3-[[5-amino-3-methyl-2-(1H-pyrazol-5-yl)thieno[3,2-b]pyridin-7-yl]amino]propan-1-ol;7-(4-cyclopentylpiperazin-1-yl)-2-(1H-pyrazol-5-yl)thieno[3,2-b]pyridin-5-amine;7-N-(cyclopropylmethyl)-3-methyl-2-(1H-pyrazol-5-yl)thieno[3,2-b]pyridine-5,7-diamine;3-methyl-7-N-[[(2S)-oxolan-2-yl]methyl]-2-(1H-pyrazol-5-yl)thieno[3,2-b]pyridine-5,7-diamine (PubChem CID 163602377) has the molecular formula C78H94N26O3S5 and a molecular weight of 1604.12 g/mol. Its IUPAC name is (2S)-2-[[5-amino-3-methyl-2-(1H-pyrazol-5-yl)thieno[3,2-b]pyridin-7-yl]amino]propan-1-ol;3-[[5-amino-3-methyl-2-(1H-pyrazol-5-yl)thieno[3,2-b]pyridin-7-yl]amino]propan-1-ol;7-(4-cyclopentylpiperazin-1-yl)-2-(1H-pyrazol-5-yl)thieno[3,2-b]pyridin-5-amine;7-N-(cyclopropylmethyl)-3-methyl-2-(1H-pyrazol-5-yl)thieno[3,2-b]pyridine-5,7-diamine;3-methyl-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-3-methyl-2-(1H-pyrazol-5-yl)thieno[3,2-b]pyridin-7-yl]amino]propan-1-ol;3-[[5-amino-3-methyl-2-(1H-pyrazol-5-yl)thieno[3,2-b]pyridin-7-yl]amino]propan-1-ol;7-(4-cyclopentylpiperazin-1-yl)-2-(1H-pyrazol-5-yl)thieno[3,2-b]pyridin-5-amine;7-N-(cyclopropylmethyl)-3-methyl-2-(1H-pyrazol-5-yl)thieno[3,2-b]pyridine-5,7-diamine;3-methyl-7-N-[[(2S)-oxolan-2-yl]methyl]-2-(1H-pyrazol-5-yl)thieno[3,2-b]pyridine-5,7-diamine
• PubChem CID: 163602377
• Molecular Formula: C78H94N26O3S5
• Molecular Weight: 1604.12 g/mol
• Exact Mass: 1602.66
• IUPAC Name: (2S)-2-[[5-amino-3-methyl-2-(1H-pyrazol-5-yl)thieno[3,2-b]pyridin-7-yl]amino]propan-1-ol;3-[[5-amino-3-methyl-2-(1H-pyrazol-5-yl)thieno[3,2-b]pyridin-7-yl]amino]propan-1-ol;7-(4-cyclopentylpiperazin-1-yl)-2-(1H-pyrazol-5-yl)thieno[3,2-b]pyridin-5-amine;7-N-(cyclopropylmethyl)-3-methyl-2-(1H-pyrazol-5-yl)thieno[3,2-b]pyridine-5,7-diamine;3-methyl-7-N-[[(2S)-oxolan-2-yl]methyl]-2-(1H-pyrazol-5-yl)thieno[3,2-b]pyridine-5,7-diamine
• SMILES: Cc1c(-c2ccn[nH]2)sc2c(NCC3CC3)cc(N)nc12.Cc1c(-c2ccn[nH]2)sc2c(NCCCO)cc(N)nc12.Cc1c(-c2ccn[nH]2)sc2c(NC[C@@H]3CCCO3)cc(N)nc12.Cc1c(-c2ccn[nH]2)sc2c(N[C@@H](C)CO)cc(N)nc12.Nc1cc(N2CCN(C3CCCC3)CC2)c2sc(-c3ccn[nH]3)cc2n1
• InChI: InChI=1S/C19H24N6S.C16H19N5OS.C15H17N5S.2C14H17N5OS/c20-18-12-16(25-9-7-24(8-10-25)13-3-1-2-4-13)19-15(22-18)11-17(26-19)14-5-6-21-23-14;1-9-14-16(23-15(9)11-4-5-19-21-11)12(7-13(17)20-14)18-8-10-3-2-6-22-10;1-8-13-15(21-14(8)10-4-5-18-20-10)11(6-12(16)19-13)17-7-9-2-3-9;1-7(6-20)17-10-5-11(15)18-12-8(2)13(21-14(10)12)9-3-4-16-19-9;1-8-12-14(21-13(8)9-3-5-17-19-9)10(7-11(15)18-12)16-4-2-6-20/h5-6,11-13H,1-4,7-10H2,(H2,20,22)(H,21,23);4-5,7,10H,2-3,6,8H2,1H3,(H,19,21)(H3,17,18,20);4-6,9H,2-3,7H2,1H3,(H,18,20)(H3,16,17,19);3-5,7,20H,6H2,1-2H3,(H,16,19)(H3,15,17,18);3,5,7,20H,2,4,6H2,1H3,(H,17,19)(H3,15,16,18)/t;10-;;7-;/m.0.0./s1
• InChIKey: GYTCTSWCAAGPIZ-YSDWMVRPSA-N
• XLogP: 14.64
• TPSA: 442.24 Ų
• H-Bond Donors: 16
• H-Bond Acceptors: 29
• Rotatable Bonds: 20
• Heavy Atoms: 112
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1604.12
LogP ≤ 5	14.64
H-Bond Donors ≤ 5	16
H-Bond Acceptors ≤ 10	29

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[[5-amino-3-methyl-2-(1H-pyrazol-5-yl)thieno[3,2-b]pyridin-7-yl]amino]propan-1-ol;3-[[5-amino-3-methyl-2-(1H-pyrazol-5-yl)thieno[3,2-b]pyridin-7-yl]amino]propan-1-ol;7-(4-cyclopentylpiperazin-1-yl)-2-(1H-pyrazol-5-yl)thieno[3,2-b]pyridin-5-amine;7-N-(cyclopropylmethyl)-3-methyl-2-(1H-pyrazol-5-yl)thieno[3,2-b]pyridine-5,7-diamine;3-methyl-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-3-methyl-2-(1H-pyrazol-5-yl)thieno[3,2-b]pyridin-7-yl]amino]propan-1-ol;3-[[5-amino-3-methyl-2-(1H-pyrazol-5-yl)thieno[3,2-b]pyridin-7-yl]amino]propan-1-ol;7-(4-cyclopentylpiperazin-1-yl)-2-(1H-pyrazol-5-yl)thieno[3,2-b]pyridin-5-amine;7-N-(cyclopropylmethyl)-3-methyl-2-(1H-pyrazol-5-yl)thieno[3,2-b]pyridine-5,7-diamine;3-methyl-7-N-[[(2S)-oxolan-2-yl]methyl]-2-(1H-pyrazol-5-yl)thieno[3,2-b]pyridine-5,7-diamine (CID 163602377) is (2S)-2-[[5-amino-3-methyl-2-(1H-pyrazol-5-yl)thieno[3,2-b]pyridin-7-yl]amino]propan-1-ol;3-[[5-amino-3-methyl-2-(1H-pyrazol-5-yl)thieno[3,2-b]pyridin-7-yl]amino]propan-1-ol;7-(4-cyclopentylpiperazin-1-yl)-2-(1H-pyrazol-5-yl)thieno[3,2-b]pyridin-5-amine;7-N-(cyclopropylmethyl)-3-methyl-2-(1H-pyrazol-5-yl)thieno[3,2-b]pyridine-5,7-diamine;3-methyl-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-3-methyl-2-(1H-pyrazol-5-yl)thieno[3,2-b]pyridin-7-yl]amino]propan-1-ol;3-[[5-amino-3-methyl-2-(1H-pyrazol-5-yl)thieno[3,2-b]pyridin-7-yl]amino]propan-1-ol;7-(4-cyclopentylpiperazin-1-yl)-2-(1H-pyrazol-5-yl)thieno[3,2-b]pyridin-5-amine;7-N-(cyclopropylmethyl)-3-methyl-2-(1H-pyrazol-5-yl)thieno[3,2-b]pyridine-5,7-diamine;3-methyl-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-3-methyl-2-(1H-pyrazol-5-yl)thieno[3,2-b]pyridin-7-yl]amino]propan-1-ol;3-[[5-amino-3-methyl-2-(1H-pyrazol-5-yl)thieno[3,2-b]pyridin-7-yl]amino]propan-1-ol;7-(4-cyclopentylpiperazin-1-yl)-2-(1H-pyrazol-5-yl)thieno[3,2-b]pyridin-5-amine;7-N-(cyclopropylmethyl)-3-methyl-2-(1H-pyrazol-5-yl)thieno[3,2-b]pyridine-5,7-diamine;3-methyl-7-N-[[(2S)-oxolan-2-yl]methyl]-2-(1H-pyrazol-5-yl)thieno[3,2-b]pyridine-5,7-diamine is Cc1c(-c2ccn[nH]2)sc2c(NCC3CC3)cc(N)nc12.Cc1c(-c2ccn[nH]2)sc2c(NCCCO)cc(N)nc12.Cc1c(-c2ccn[nH]2)sc2c(NC[C@@H]3CCCO3)cc(N)nc12.Cc1c(-c2ccn[nH]2)sc2c(N[C@@H](C)CO)cc(N)nc12.Nc1cc(N2CCN(C3CCCC3)CC2)c2sc(-c3ccn[nH]3)cc2n1.

What is the InChIKey of (2S)-2-[[5-amino-3-methyl-2-(1H-pyrazol-5-yl)thieno[3,2-b]pyridin-7-yl]amino]propan-1-ol;3-[[5-amino-3-methyl-2-(1H-pyrazol-5-yl)thieno[3,2-b]pyridin-7-yl]amino]propan-1-ol;7-(4-cyclopentylpiperazin-1-yl)-2-(1H-pyrazol-5-yl)thieno[3,2-b]pyridin-5-amine;7-N-(cyclopropylmethyl)-3-methyl-2-(1H-pyrazol-5-yl)thieno[3,2-b]pyridine-5,7-diamine;3-methyl-7-N-[[(2S)-oxolan-2-yl]methyl]-2-(1H-pyrazol-5-yl)thieno[3,2-b]pyridine-5,7-diamine?

The InChIKey is GYTCTSWCAAGPIZ-YSDWMVRPSA-N. The full InChI is InChI=1S/C19H24N6S.C16H19N5OS.C15H17N5S.2C14H17N5OS/c20-18-12-16(25-9-7-24(8-10-25)13-3-1-2-4-13)19-15(22-18)11-17(26-19)14-5-6-21-23-14;1-9-14-16(23-15(9)11-4-5-19-21-11)12(7-13(17)20-14)18-8-10-3-2-6-22-10;1-8-13-15(21-14(8)10-4-5-18-20-10)11(6-12(16)19-13)17-7-9-2-3-9;1-7(6-20)17-10-5-11(15)18-12-8(2)13(21-14(10)12)9-3-4-16-19-9;1-8-12-14(21-13(8)9-3-5-17-19-9)10(7-11(15)18-12)16-4-2-6-20/h5-6,11-13H,1-4,7-10H2,(H2,20,22)(H,21,23);4-5,7,10H,2-3,6,8H2,1H3,(H,19,21)(H3,17,18,20);4-6,9H,2-3,7H2,1H3,(H,18,20)(H3,16,17,19);3-5,7,20H,6H2,1-2H3,(H,16,19)(H3,15,17,18);3,5,7,20H,2,4,6H2,1H3,(H,17,19)(H3,15,16,18)/t;10-;;7-;/m.0.0./s1.

What are the key properties of (2S)-2-[[5-amino-3-methyl-2-(1H-pyrazol-5-yl)thieno[3,2-b]pyridin-7-yl]amino]propan-1-ol;3-[[5-amino-3-methyl-2-(1H-pyrazol-5-yl)thieno[3,2-b]pyridin-7-yl]amino]propan-1-ol;7-(4-cyclopentylpiperazin-1-yl)-2-(1H-pyrazol-5-yl)thieno[3,2-b]pyridin-5-amine;7-N-(cyclopropylmethyl)-3-methyl-2-(1H-pyrazol-5-yl)thieno[3,2-b]pyridine-5,7-diamine;3-methyl-7-N-[[(2S)-oxolan-2-yl]methyl]-2-(1H-pyrazol-5-yl)thieno[3,2-b]pyridine-5,7-diamine?

(2S)-2-[[5-amino-3-methyl-2-(1H-pyrazol-5-yl)thieno[3,2-b]pyridin-7-yl]amino]propan-1-ol;3-[[5-amino-3-methyl-2-(1H-pyrazol-5-yl)thieno[3,2-b]pyridin-7-yl]amino]propan-1-ol;7-(4-cyclopentylpiperazin-1-yl)-2-(1H-pyrazol-5-yl)thieno[3,2-b]pyridin-5-amine;7-N-(cyclopropylmethyl)-3-methyl-2-(1H-pyrazol-5-yl)thieno[3,2-b]pyridine-5,7-diamine;3-methyl-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 1604.12 g/mol, XLogP of 14.64, 20 rotatable bonds, 16 hydrogen bond donors, and 29 hydrogen bond acceptors.

Where does this data come from?

All data for (2S)-2-[[5-amino-3-methyl-2-(1H-pyrazol-5-yl)thieno[3,2-b]pyridin-7-yl]amino]propan-1-ol;3-[[5-amino-3-methyl-2-(1H-pyrazol-5-yl)thieno[3,2-b]pyridin-7-yl]amino]propan-1-ol;7-(4-cyclopentylpiperazin-1-yl)-2-(1H-pyrazol-5-yl)thieno[3,2-b]pyridin-5-amine;7-N-(cyclopropylmethyl)-3-methyl-2-(1H-pyrazol-5-yl)thieno[3,2-b]pyridine-5,7-diamine;3-methyl-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 163602377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).