7-N-(cyclopropylmethyl)-2-(1H-pyrazol-5-yl)thieno[3,2-b]pyridine-5,7-diamine;7-N-(2-methoxyethyl)-2-(1H-pyrazol-5-yl)thieno[3,2-b]pyridine-5,7-diamine;7-N-[(2R)-2-methoxypropyl]-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-[[(2S)-oxolan-2-yl]methyl]-2-(1H-pyrazol-5-yl)thieno[3,2-b]pyridine-5,7-diamine

C72H84N26O3S5 — CID 163654007

About 7-N-(cyclopropylmethyl)-2-(1H-pyrazol-5-yl)thieno[3,2-b]pyridine-5,7-diamine;7-N-(2-methoxyethyl)-2-(1H-pyrazol-5-yl)thieno[3,2-b]pyridine-5,7-diamine;7-N-[(2R)-2-methoxypropyl]-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-[[(2S)-oxolan-2-yl]methyl]-2-(1H-pyrazol-5-yl)thieno[3,2-b]pyridine-5,7-diamine

7-N-(cyclopropylmethyl)-2-(1H-pyrazol-5-yl)thieno[3,2-b]pyridine-5,7-diamine;7-N-(2-methoxyethyl)-2-(1H-pyrazol-5-yl)thieno[3,2-b]pyridine-5,7-diamine;7-N-[(2R)-2-methoxypropyl]-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-[[(2S)-oxolan-2-yl]methyl]-2-(1H-pyrazol-5-yl)thieno[3,2-b]pyridine-5,7-diamine (PubChem CID 163654007) has the molecular formula C72H84N26O3S5 and a molecular weight of 1521.98 g/mol. Its IUPAC name is 7-N-(cyclopropylmethyl)-2-(1H-pyrazol-5-yl)thieno[3,2-b]pyridine-5,7-diamine;7-N-(2-methoxyethyl)-2-(1H-pyrazol-5-yl)thieno[3,2-b]pyridine-5,7-diamine;7-N-[(2R)-2-methoxypropyl]-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-[[(2S)-oxolan-2-yl]methyl]-2-(1H-pyrazol-5-yl)thieno[3,2-b]pyridine-5,7-diamine.

Molecular Properties

• Compound Name: 7-N-(cyclopropylmethyl)-2-(1H-pyrazol-5-yl)thieno[3,2-b]pyridine-5,7-diamine;7-N-(2-methoxyethyl)-2-(1H-pyrazol-5-yl)thieno[3,2-b]pyridine-5,7-diamine;7-N-[(2R)-2-methoxypropyl]-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-[[(2S)-oxolan-2-yl]methyl]-2-(1H-pyrazol-5-yl)thieno[3,2-b]pyridine-5,7-diamine
• PubChem CID: 163654007
• Molecular Formula: C72H84N26O3S5
• Molecular Weight: 1521.98 g/mol
• Exact Mass: 1520.58
• IUPAC Name: 7-N-(cyclopropylmethyl)-2-(1H-pyrazol-5-yl)thieno[3,2-b]pyridine-5,7-diamine;7-N-(2-methoxyethyl)-2-(1H-pyrazol-5-yl)thieno[3,2-b]pyridine-5,7-diamine;7-N-[(2R)-2-methoxypropyl]-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-[[(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.COCCNc1cc(N)nc2cc(-c3ccn[nH]3)sc12.CO[C@H](C)CNc1cc(N)nc2cc(-c3ccn[nH]3)sc12.Nc1cc(NCC2CC2)c2sc(-c3ccn[nH]3)cc2n1.Nc1cc(NC[C@@H]2CCCO2)c2sc(-c3ccn[nH]3)cc2n1
• InChI: InChI=1S/C16H20N6S.C15H17N5OS.C14H17N5OS.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;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;1-8(20-2)7-16-10-6-13(15)18-11-5-12(21-14(10)11)9-3-4-17-19-9;15-13-6-10(16-7-8-1-2-8)14-11(18-13)5-12(20-14)9-3-4-17-19-9;1-19-5-4-15-9-7-12(14)17-10-6-11(20-13(9)10)8-2-3-16-18-8/h4-5,7-8,10H,2-3,6,9H2,1H3,(H,18,21)(H3,17,19,20);3-4,6-7,9H,1-2,5,8H2,(H,18,20)(H3,16,17,19);3-6,8H,7H2,1-2H3,(H,17,19)(H3,15,16,18);3-6,8H,1-2,7H2,(H,17,19)(H3,15,16,18);2-3,6-7H,4-5H2,1H3,(H,16,18)(H3,14,15,17)/t10-;9-;8-;;/m101../s1
• InChIKey: IOQBQMHOJSDVFL-UWNIVAEDSA-N
• XLogP: 13.77
• TPSA: 429.03 Ų
• H-Bond Donors: 15
• H-Bond Acceptors: 29
• Rotatable Bonds: 21
• Heavy Atoms: 106
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1521.98
LogP ≤ 5	13.77
H-Bond Donors ≤ 5	15
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 7-N-(cyclopropylmethyl)-2-(1H-pyrazol-5-yl)thieno[3,2-b]pyridine-5,7-diamine;7-N-(2-methoxyethyl)-2-(1H-pyrazol-5-yl)thieno[3,2-b]pyridine-5,7-diamine;7-N-[(2R)-2-methoxypropyl]-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-[[(2S)-oxolan-2-yl]methyl]-2-(1H-pyrazol-5-yl)thieno[3,2-b]pyridine-5,7-diamine?

The IUPAC name of 7-N-(cyclopropylmethyl)-2-(1H-pyrazol-5-yl)thieno[3,2-b]pyridine-5,7-diamine;7-N-(2-methoxyethyl)-2-(1H-pyrazol-5-yl)thieno[3,2-b]pyridine-5,7-diamine;7-N-[(2R)-2-methoxypropyl]-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-[[(2S)-oxolan-2-yl]methyl]-2-(1H-pyrazol-5-yl)thieno[3,2-b]pyridine-5,7-diamine (CID 163654007) is 7-N-(cyclopropylmethyl)-2-(1H-pyrazol-5-yl)thieno[3,2-b]pyridine-5,7-diamine;7-N-(2-methoxyethyl)-2-(1H-pyrazol-5-yl)thieno[3,2-b]pyridine-5,7-diamine;7-N-[(2R)-2-methoxypropyl]-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-[[(2S)-oxolan-2-yl]methyl]-2-(1H-pyrazol-5-yl)thieno[3,2-b]pyridine-5,7-diamine.

What is the SMILES notation for 7-N-(cyclopropylmethyl)-2-(1H-pyrazol-5-yl)thieno[3,2-b]pyridine-5,7-diamine;7-N-(2-methoxyethyl)-2-(1H-pyrazol-5-yl)thieno[3,2-b]pyridine-5,7-diamine;7-N-[(2R)-2-methoxypropyl]-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-[[(2S)-oxolan-2-yl]methyl]-2-(1H-pyrazol-5-yl)thieno[3,2-b]pyridine-5,7-diamine?

The canonical SMILES for 7-N-(cyclopropylmethyl)-2-(1H-pyrazol-5-yl)thieno[3,2-b]pyridine-5,7-diamine;7-N-(2-methoxyethyl)-2-(1H-pyrazol-5-yl)thieno[3,2-b]pyridine-5,7-diamine;7-N-[(2R)-2-methoxypropyl]-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-[[(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.COCCNc1cc(N)nc2cc(-c3ccn[nH]3)sc12.CO[C@H](C)CNc1cc(N)nc2cc(-c3ccn[nH]3)sc12.Nc1cc(NCC2CC2)c2sc(-c3ccn[nH]3)cc2n1.Nc1cc(NC[C@@H]2CCCO2)c2sc(-c3ccn[nH]3)cc2n1.

What is the InChIKey of 7-N-(cyclopropylmethyl)-2-(1H-pyrazol-5-yl)thieno[3,2-b]pyridine-5,7-diamine;7-N-(2-methoxyethyl)-2-(1H-pyrazol-5-yl)thieno[3,2-b]pyridine-5,7-diamine;7-N-[(2R)-2-methoxypropyl]-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-[[(2S)-oxolan-2-yl]methyl]-2-(1H-pyrazol-5-yl)thieno[3,2-b]pyridine-5,7-diamine?

The InChIKey is IOQBQMHOJSDVFL-UWNIVAEDSA-N. The full InChI is InChI=1S/C16H20N6S.C15H17N5OS.C14H17N5OS.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;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;1-8(20-2)7-16-10-6-13(15)18-11-5-12(21-14(10)11)9-3-4-17-19-9;15-13-6-10(16-7-8-1-2-8)14-11(18-13)5-12(20-14)9-3-4-17-19-9;1-19-5-4-15-9-7-12(14)17-10-6-11(20-13(9)10)8-2-3-16-18-8/h4-5,7-8,10H,2-3,6,9H2,1H3,(H,18,21)(H3,17,19,20);3-4,6-7,9H,1-2,5,8H2,(H,18,20)(H3,16,17,19);3-6,8H,7H2,1-2H3,(H,17,19)(H3,15,16,18);3-6,8H,1-2,7H2,(H,17,19)(H3,15,16,18);2-3,6-7H,4-5H2,1H3,(H,16,18)(H3,14,15,17)/t10-;9-;8-;;/m101../s1.

What are the key properties of 7-N-(cyclopropylmethyl)-2-(1H-pyrazol-5-yl)thieno[3,2-b]pyridine-5,7-diamine;7-N-(2-methoxyethyl)-2-(1H-pyrazol-5-yl)thieno[3,2-b]pyridine-5,7-diamine;7-N-[(2R)-2-methoxypropyl]-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-[[(2S)-oxolan-2-yl]methyl]-2-(1H-pyrazol-5-yl)thieno[3,2-b]pyridine-5,7-diamine?

7-N-(cyclopropylmethyl)-2-(1H-pyrazol-5-yl)thieno[3,2-b]pyridine-5,7-diamine;7-N-(2-methoxyethyl)-2-(1H-pyrazol-5-yl)thieno[3,2-b]pyridine-5,7-diamine;7-N-[(2R)-2-methoxypropyl]-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-[[(2S)-oxolan-2-yl]methyl]-2-(1H-pyrazol-5-yl)thieno[3,2-b]pyridine-5,7-diamine has a molecular weight of 1521.98 g/mol, XLogP of 13.77, 21 rotatable bonds, 15 hydrogen bond donors, and 29 hydrogen bond acceptors.

Where does this data come from?

All data for 7-N-(cyclopropylmethyl)-2-(1H-pyrazol-5-yl)thieno[3,2-b]pyridine-5,7-diamine;7-N-(2-methoxyethyl)-2-(1H-pyrazol-5-yl)thieno[3,2-b]pyridine-5,7-diamine;7-N-[(2R)-2-methoxypropyl]-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-[[(2S)-oxolan-2-yl]methyl]-2-(1H-pyrazol-5-yl)thieno[3,2-b]pyridine-5,7-diamine is sourced from PubChem (CID 163654007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).