(3S)-3-[[5-amino-2-(1H-pyrazol-5-yl)thieno[3,2-b]pyridin-7-yl]amino]butan-1-ol;2-[[[5-amino-2-(1H-pyrazol-5-yl)thieno[3,2-b]pyridin-7-yl]amino]methyl]-2-methylpropane-1,3-diol;3-[[5-amino-2-(1H-pyrazol-5-yl)thieno[3,2-b]pyridin-7-yl]amino]-3-phenylpropan-1-ol;7-N-(cyclobutylmethyl)-2-(1H-pyrazol-5-yl)thieno[3,2-b]pyridine-5,7-diamine;7-N-[2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]ethyl]-2-(1H-pyrazol-5-yl)thieno[3,2-b]pyridine-5,7-diamine

C81H96N26O5S5 — CID 163806509

About (3S)-3-[[5-amino-2-(1H-pyrazol-5-yl)thieno[3,2-b]pyridin-7-yl]amino]butan-1-ol;2-[[[5-amino-2-(1H-pyrazol-5-yl)thieno[3,2-b]pyridin-7-yl]amino]methyl]-2-methylpropane-1,3-diol;3-[[5-amino-2-(1H-pyrazol-5-yl)thieno[3,2-b]pyridin-7-yl]amino]-3-phenylpropan-1-ol;7-N-(cyclobutylmethyl)-2-(1H-pyrazol-5-yl)thieno[3,2-b]pyridine-5,7-diamine;7-N-[2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]ethyl]-2-(1H-pyrazol-5-yl)thieno[3,2-b]pyridine-5,7-diamine

(3S)-3-[[5-amino-2-(1H-pyrazol-5-yl)thieno[3,2-b]pyridin-7-yl]amino]butan-1-ol;2-[[[5-amino-2-(1H-pyrazol-5-yl)thieno[3,2-b]pyridin-7-yl]amino]methyl]-2-methylpropane-1,3-diol;3-[[5-amino-2-(1H-pyrazol-5-yl)thieno[3,2-b]pyridin-7-yl]amino]-3-phenylpropan-1-ol;7-N-(cyclobutylmethyl)-2-(1H-pyrazol-5-yl)thieno[3,2-b]pyridine-5,7-diamine;7-N-[2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]ethyl]-2-(1H-pyrazol-5-yl)thieno[3,2-b]pyridine-5,7-diamine (PubChem CID 163806509) has the molecular formula C81H96N26O5S5 and a molecular weight of 1674.17 g/mol. Its IUPAC name is (3S)-3-[[5-amino-2-(1H-pyrazol-5-yl)thieno[3,2-b]pyridin-7-yl]amino]butan-1-ol;2-[[[5-amino-2-(1H-pyrazol-5-yl)thieno[3,2-b]pyridin-7-yl]amino]methyl]-2-methylpropane-1,3-diol;3-[[5-amino-2-(1H-pyrazol-5-yl)thieno[3,2-b]pyridin-7-yl]amino]-3-phenylpropan-1-ol;7-N-(cyclobutylmethyl)-2-(1H-pyrazol-5-yl)thieno[3,2-b]pyridine-5,7-diamine;7-N-[2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]ethyl]-2-(1H-pyrazol-5-yl)thieno[3,2-b]pyridine-5,7-diamine.

Molecular Properties

• Compound Name: (3S)-3-[[5-amino-2-(1H-pyrazol-5-yl)thieno[3,2-b]pyridin-7-yl]amino]butan-1-ol;2-[[[5-amino-2-(1H-pyrazol-5-yl)thieno[3,2-b]pyridin-7-yl]amino]methyl]-2-methylpropane-1,3-diol;3-[[5-amino-2-(1H-pyrazol-5-yl)thieno[3,2-b]pyridin-7-yl]amino]-3-phenylpropan-1-ol;7-N-(cyclobutylmethyl)-2-(1H-pyrazol-5-yl)thieno[3,2-b]pyridine-5,7-diamine;7-N-[2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]ethyl]-2-(1H-pyrazol-5-yl)thieno[3,2-b]pyridine-5,7-diamine
• PubChem CID: 163806509
• Molecular Formula: C81H96N26O5S5
• Molecular Weight: 1674.17 g/mol
• Exact Mass: 1672.67
• IUPAC Name: (3S)-3-[[5-amino-2-(1H-pyrazol-5-yl)thieno[3,2-b]pyridin-7-yl]amino]butan-1-ol;2-[[[5-amino-2-(1H-pyrazol-5-yl)thieno[3,2-b]pyridin-7-yl]amino]methyl]-2-methylpropane-1,3-diol;3-[[5-amino-2-(1H-pyrazol-5-yl)thieno[3,2-b]pyridin-7-yl]amino]-3-phenylpropan-1-ol;7-N-(cyclobutylmethyl)-2-(1H-pyrazol-5-yl)thieno[3,2-b]pyridine-5,7-diamine;7-N-[2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]ethyl]-2-(1H-pyrazol-5-yl)thieno[3,2-b]pyridine-5,7-diamine
• SMILES: CC(CO)(CO)CNc1cc(N)nc2cc(-c3ccn[nH]3)sc12.C[C@@H](CCO)Nc1cc(N)nc2cc(-c3ccn[nH]3)sc12.C[C@@H]1CN(CCNc2cc(N)nc3cc(-c4ccn[nH]4)sc23)C[C@@H](C)O1.Nc1cc(NC(CCO)c2ccccc2)c2sc(-c3ccn[nH]3)cc2n1.Nc1cc(NCC2CCC2)c2sc(-c3ccn[nH]3)cc2n1
• InChI: InChI=1S/C19H19N5OS.C18H24N6OS.C15H19N5O2S.C15H17N5S.C14H17N5OS/c20-18-11-16(22-13(7-9-25)12-4-2-1-3-5-12)19-15(23-18)10-17(26-19)14-6-8-21-24-14;1-11-9-24(10-12(2)25-11)6-5-20-14-8-17(19)22-15-7-16(26-18(14)15)13-3-4-21-23-13;1-15(7-21,8-22)6-17-10-5-13(16)19-11-4-12(23-14(10)11)9-2-3-18-20-9;16-14-7-11(17-8-9-2-1-3-9)15-12(19-14)6-13(21-15)10-4-5-18-20-10;1-8(3-5-20)17-11-7-13(15)18-10-6-12(21-14(10)11)9-2-4-16-19-9/h1-6,8,10-11,13,25H,7,9H2,(H,21,24)(H3,20,22,23);3-4,7-8,11-12H,5-6,9-10H2,1-2H3,(H,21,23)(H3,19,20,22);2-5,21-22H,6-8H2,1H3,(H,18,20)(H3,16,17,19);4-7,9H,1-3,8H2,(H,18,20)(H3,16,17,19);2,4,6-8,20H,3,5H2,1H3,(H,16,19)(H3,15,17,18)/t;11-,12-;;;8-/m.1..0/s1
• InChIKey: NJMQPXSVECZRAG-CSDGJSIRSA-N
• XLogP: 14.20
• TPSA: 491.49 Ų
• H-Bond Donors: 19
• H-Bond Acceptors: 31
• Rotatable Bonds: 26
• Heavy Atoms: 117
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1674.17
LogP ≤ 5	14.20
H-Bond Donors ≤ 5	19
H-Bond Acceptors ≤ 10	31

Frequently Asked Questions

What is the IUPAC name of (3S)-3-[[5-amino-2-(1H-pyrazol-5-yl)thieno[3,2-b]pyridin-7-yl]amino]butan-1-ol;2-[[[5-amino-2-(1H-pyrazol-5-yl)thieno[3,2-b]pyridin-7-yl]amino]methyl]-2-methylpropane-1,3-diol;3-[[5-amino-2-(1H-pyrazol-5-yl)thieno[3,2-b]pyridin-7-yl]amino]-3-phenylpropan-1-ol;7-N-(cyclobutylmethyl)-2-(1H-pyrazol-5-yl)thieno[3,2-b]pyridine-5,7-diamine;7-N-[2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]ethyl]-2-(1H-pyrazol-5-yl)thieno[3,2-b]pyridine-5,7-diamine?

The IUPAC name of (3S)-3-[[5-amino-2-(1H-pyrazol-5-yl)thieno[3,2-b]pyridin-7-yl]amino]butan-1-ol;2-[[[5-amino-2-(1H-pyrazol-5-yl)thieno[3,2-b]pyridin-7-yl]amino]methyl]-2-methylpropane-1,3-diol;3-[[5-amino-2-(1H-pyrazol-5-yl)thieno[3,2-b]pyridin-7-yl]amino]-3-phenylpropan-1-ol;7-N-(cyclobutylmethyl)-2-(1H-pyrazol-5-yl)thieno[3,2-b]pyridine-5,7-diamine;7-N-[2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]ethyl]-2-(1H-pyrazol-5-yl)thieno[3,2-b]pyridine-5,7-diamine (CID 163806509) is (3S)-3-[[5-amino-2-(1H-pyrazol-5-yl)thieno[3,2-b]pyridin-7-yl]amino]butan-1-ol;2-[[[5-amino-2-(1H-pyrazol-5-yl)thieno[3,2-b]pyridin-7-yl]amino]methyl]-2-methylpropane-1,3-diol;3-[[5-amino-2-(1H-pyrazol-5-yl)thieno[3,2-b]pyridin-7-yl]amino]-3-phenylpropan-1-ol;7-N-(cyclobutylmethyl)-2-(1H-pyrazol-5-yl)thieno[3,2-b]pyridine-5,7-diamine;7-N-[2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]ethyl]-2-(1H-pyrazol-5-yl)thieno[3,2-b]pyridine-5,7-diamine.

What is the SMILES notation for (3S)-3-[[5-amino-2-(1H-pyrazol-5-yl)thieno[3,2-b]pyridin-7-yl]amino]butan-1-ol;2-[[[5-amino-2-(1H-pyrazol-5-yl)thieno[3,2-b]pyridin-7-yl]amino]methyl]-2-methylpropane-1,3-diol;3-[[5-amino-2-(1H-pyrazol-5-yl)thieno[3,2-b]pyridin-7-yl]amino]-3-phenylpropan-1-ol;7-N-(cyclobutylmethyl)-2-(1H-pyrazol-5-yl)thieno[3,2-b]pyridine-5,7-diamine;7-N-[2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]ethyl]-2-(1H-pyrazol-5-yl)thieno[3,2-b]pyridine-5,7-diamine?

The canonical SMILES for (3S)-3-[[5-amino-2-(1H-pyrazol-5-yl)thieno[3,2-b]pyridin-7-yl]amino]butan-1-ol;2-[[[5-amino-2-(1H-pyrazol-5-yl)thieno[3,2-b]pyridin-7-yl]amino]methyl]-2-methylpropane-1,3-diol;3-[[5-amino-2-(1H-pyrazol-5-yl)thieno[3,2-b]pyridin-7-yl]amino]-3-phenylpropan-1-ol;7-N-(cyclobutylmethyl)-2-(1H-pyrazol-5-yl)thieno[3,2-b]pyridine-5,7-diamine;7-N-[2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]ethyl]-2-(1H-pyrazol-5-yl)thieno[3,2-b]pyridine-5,7-diamine is CC(CO)(CO)CNc1cc(N)nc2cc(-c3ccn[nH]3)sc12.C[C@@H](CCO)Nc1cc(N)nc2cc(-c3ccn[nH]3)sc12.C[C@@H]1CN(CCNc2cc(N)nc3cc(-c4ccn[nH]4)sc23)C[C@@H](C)O1.Nc1cc(NC(CCO)c2ccccc2)c2sc(-c3ccn[nH]3)cc2n1.Nc1cc(NCC2CCC2)c2sc(-c3ccn[nH]3)cc2n1.

What is the InChIKey of (3S)-3-[[5-amino-2-(1H-pyrazol-5-yl)thieno[3,2-b]pyridin-7-yl]amino]butan-1-ol;2-[[[5-amino-2-(1H-pyrazol-5-yl)thieno[3,2-b]pyridin-7-yl]amino]methyl]-2-methylpropane-1,3-diol;3-[[5-amino-2-(1H-pyrazol-5-yl)thieno[3,2-b]pyridin-7-yl]amino]-3-phenylpropan-1-ol;7-N-(cyclobutylmethyl)-2-(1H-pyrazol-5-yl)thieno[3,2-b]pyridine-5,7-diamine;7-N-[2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]ethyl]-2-(1H-pyrazol-5-yl)thieno[3,2-b]pyridine-5,7-diamine?

The InChIKey is NJMQPXSVECZRAG-CSDGJSIRSA-N. The full InChI is InChI=1S/C19H19N5OS.C18H24N6OS.C15H19N5O2S.C15H17N5S.C14H17N5OS/c20-18-11-16(22-13(7-9-25)12-4-2-1-3-5-12)19-15(23-18)10-17(26-19)14-6-8-21-24-14;1-11-9-24(10-12(2)25-11)6-5-20-14-8-17(19)22-15-7-16(26-18(14)15)13-3-4-21-23-13;1-15(7-21,8-22)6-17-10-5-13(16)19-11-4-12(23-14(10)11)9-2-3-18-20-9;16-14-7-11(17-8-9-2-1-3-9)15-12(19-14)6-13(21-15)10-4-5-18-20-10;1-8(3-5-20)17-11-7-13(15)18-10-6-12(21-14(10)11)9-2-4-16-19-9/h1-6,8,10-11,13,25H,7,9H2,(H,21,24)(H3,20,22,23);3-4,7-8,11-12H,5-6,9-10H2,1-2H3,(H,21,23)(H3,19,20,22);2-5,21-22H,6-8H2,1H3,(H,18,20)(H3,16,17,19);4-7,9H,1-3,8H2,(H,18,20)(H3,16,17,19);2,4,6-8,20H,3,5H2,1H3,(H,16,19)(H3,15,17,18)/t;11-,12-;;;8-/m.1..0/s1.

What are the key properties of (3S)-3-[[5-amino-2-(1H-pyrazol-5-yl)thieno[3,2-b]pyridin-7-yl]amino]butan-1-ol;2-[[[5-amino-2-(1H-pyrazol-5-yl)thieno[3,2-b]pyridin-7-yl]amino]methyl]-2-methylpropane-1,3-diol;3-[[5-amino-2-(1H-pyrazol-5-yl)thieno[3,2-b]pyridin-7-yl]amino]-3-phenylpropan-1-ol;7-N-(cyclobutylmethyl)-2-(1H-pyrazol-5-yl)thieno[3,2-b]pyridine-5,7-diamine;7-N-[2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]ethyl]-2-(1H-pyrazol-5-yl)thieno[3,2-b]pyridine-5,7-diamine?

(3S)-3-[[5-amino-2-(1H-pyrazol-5-yl)thieno[3,2-b]pyridin-7-yl]amino]butan-1-ol;2-[[[5-amino-2-(1H-pyrazol-5-yl)thieno[3,2-b]pyridin-7-yl]amino]methyl]-2-methylpropane-1,3-diol;3-[[5-amino-2-(1H-pyrazol-5-yl)thieno[3,2-b]pyridin-7-yl]amino]-3-phenylpropan-1-ol;7-N-(cyclobutylmethyl)-2-(1H-pyrazol-5-yl)thieno[3,2-b]pyridine-5,7-diamine;7-N-[2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]ethyl]-2-(1H-pyrazol-5-yl)thieno[3,2-b]pyridine-5,7-diamine has a molecular weight of 1674.17 g/mol, XLogP of 14.20, 26 rotatable bonds, 19 hydrogen bond donors, and 31 hydrogen bond acceptors.

Where does this data come from?

All data for (3S)-3-[[5-amino-2-(1H-pyrazol-5-yl)thieno[3,2-b]pyridin-7-yl]amino]butan-1-ol;2-[[[5-amino-2-(1H-pyrazol-5-yl)thieno[3,2-b]pyridin-7-yl]amino]methyl]-2-methylpropane-1,3-diol;3-[[5-amino-2-(1H-pyrazol-5-yl)thieno[3,2-b]pyridin-7-yl]amino]-3-phenylpropan-1-ol;7-N-(cyclobutylmethyl)-2-(1H-pyrazol-5-yl)thieno[3,2-b]pyridine-5,7-diamine;7-N-[2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]ethyl]-2-(1H-pyrazol-5-yl)thieno[3,2-b]pyridine-5,7-diamine is sourced from PubChem (CID 163806509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).