(3S)-3-[[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-(cyclobutylmethyl)-2-(1H-pyrazol-5-yl)thieno[3,2-b]pyridine-5,7-diamine;7-N-(4-methylcyclohexyl)-2-(1H-pyrazol-5-yl)thieno[3,2-b]pyridine-5,7-diamine

C75H89N25O3S5 — CID 163516766

About (3S)-3-[[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-(cyclobutylmethyl)-2-(1H-pyrazol-5-yl)thieno[3,2-b]pyridine-5,7-diamine;7-N-(4-methylcyclohexyl)-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;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-(cyclobutylmethyl)-2-(1H-pyrazol-5-yl)thieno[3,2-b]pyridine-5,7-diamine;7-N-(4-methylcyclohexyl)-2-(1H-pyrazol-5-yl)thieno[3,2-b]pyridine-5,7-diamine (PubChem CID 163516766) has the molecular formula C75H89N25O3S5 and a molecular weight of 1549.04 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;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-(cyclobutylmethyl)-2-(1H-pyrazol-5-yl)thieno[3,2-b]pyridine-5,7-diamine;7-N-(4-methylcyclohexyl)-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;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-(cyclobutylmethyl)-2-(1H-pyrazol-5-yl)thieno[3,2-b]pyridine-5,7-diamine;7-N-(4-methylcyclohexyl)-2-(1H-pyrazol-5-yl)thieno[3,2-b]pyridine-5,7-diamine
• PubChem CID: 163516766
• Molecular Formula: C75H89N25O3S5
• Molecular Weight: 1549.04 g/mol
• Exact Mass: 1547.62
• IUPAC Name: (3S)-3-[[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-(cyclobutylmethyl)-2-(1H-pyrazol-5-yl)thieno[3,2-b]pyridine-5,7-diamine;7-N-(4-methylcyclohexyl)-2-(1H-pyrazol-5-yl)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.CN(CCCO)c1cc(N)nc2cc(-c3ccn[nH]3)sc12.C[C@@H](CCO)Nc1cc(N)nc2cc(-c3ccn[nH]3)sc12.Nc1cc(NCC2CCC2)c2sc(-c3ccn[nH]3)cc2n1
• InChI: InChI=1S/C17H21N5S.C15H17N5OS.C15H17N5S.2C14H17N5OS/c1-10-2-4-11(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;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;1-19(5-2-6-20)11-8-13(15)17-10-7-12(21-14(10)11)9-3-4-16-18-9;1-8(3-5-20)17-11-7-13(15)18-10-6-12(21-14(10)11)9-2-4-16-19-9/h6-11H,2-5H2,1H3,(H,19,22)(H3,18,20,21);2-5,8,21H,6-7H2,1H3,(H,17,20)(H3,16,18,19);4-7,9H,1-3,8H2,(H,18,20)(H3,16,17,19);3-4,7-8,20H,2,5-6H2,1H3,(H2,15,17)(H,16,18);2,4,6-8,20H,3,5H2,1H3,(H,16,19)(H3,15,17,18)/t;;;;8-/m....0/s1
• InChIKey: DHKMTLKUDWAURI-JIJBQRLRSA-N
• XLogP: 14.87
• TPSA: 450.00 Ų
• H-Bond Donors: 17
• H-Bond Acceptors: 28
• Rotatable Bonds: 20
• Heavy Atoms: 108
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1549.04
LogP ≤ 5	14.87
H-Bond Donors ≤ 5	17
H-Bond Acceptors ≤ 10	28

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;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-(cyclobutylmethyl)-2-(1H-pyrazol-5-yl)thieno[3,2-b]pyridine-5,7-diamine;7-N-(4-methylcyclohexyl)-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;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-(cyclobutylmethyl)-2-(1H-pyrazol-5-yl)thieno[3,2-b]pyridine-5,7-diamine;7-N-(4-methylcyclohexyl)-2-(1H-pyrazol-5-yl)thieno[3,2-b]pyridine-5,7-diamine (CID 163516766) is (3S)-3-[[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-(cyclobutylmethyl)-2-(1H-pyrazol-5-yl)thieno[3,2-b]pyridine-5,7-diamine;7-N-(4-methylcyclohexyl)-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;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-(cyclobutylmethyl)-2-(1H-pyrazol-5-yl)thieno[3,2-b]pyridine-5,7-diamine;7-N-(4-methylcyclohexyl)-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;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-(cyclobutylmethyl)-2-(1H-pyrazol-5-yl)thieno[3,2-b]pyridine-5,7-diamine;7-N-(4-methylcyclohexyl)-2-(1H-pyrazol-5-yl)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.CN(CCCO)c1cc(N)nc2cc(-c3ccn[nH]3)sc12.C[C@@H](CCO)Nc1cc(N)nc2cc(-c3ccn[nH]3)sc12.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;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-(cyclobutylmethyl)-2-(1H-pyrazol-5-yl)thieno[3,2-b]pyridine-5,7-diamine;7-N-(4-methylcyclohexyl)-2-(1H-pyrazol-5-yl)thieno[3,2-b]pyridine-5,7-diamine?

The InChIKey is DHKMTLKUDWAURI-JIJBQRLRSA-N. The full InChI is InChI=1S/C17H21N5S.C15H17N5OS.C15H17N5S.2C14H17N5OS/c1-10-2-4-11(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;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;1-19(5-2-6-20)11-8-13(15)17-10-7-12(21-14(10)11)9-3-4-16-18-9;1-8(3-5-20)17-11-7-13(15)18-10-6-12(21-14(10)11)9-2-4-16-19-9/h6-11H,2-5H2,1H3,(H,19,22)(H3,18,20,21);2-5,8,21H,6-7H2,1H3,(H,17,20)(H3,16,18,19);4-7,9H,1-3,8H2,(H,18,20)(H3,16,17,19);3-4,7-8,20H,2,5-6H2,1H3,(H2,15,17)(H,16,18);2,4,6-8,20H,3,5H2,1H3,(H,16,19)(H3,15,17,18)/t;;;;8-/m....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;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-(cyclobutylmethyl)-2-(1H-pyrazol-5-yl)thieno[3,2-b]pyridine-5,7-diamine;7-N-(4-methylcyclohexyl)-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;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-(cyclobutylmethyl)-2-(1H-pyrazol-5-yl)thieno[3,2-b]pyridine-5,7-diamine;7-N-(4-methylcyclohexyl)-2-(1H-pyrazol-5-yl)thieno[3,2-b]pyridine-5,7-diamine has a molecular weight of 1549.04 g/mol, XLogP of 14.87, 20 rotatable bonds, 17 hydrogen bond donors, and 28 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;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-(cyclobutylmethyl)-2-(1H-pyrazol-5-yl)thieno[3,2-b]pyridine-5,7-diamine;7-N-(4-methylcyclohexyl)-2-(1H-pyrazol-5-yl)thieno[3,2-b]pyridine-5,7-diamine is sourced from PubChem (CID 163516766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).