2-[[[5-amino-2-(1H-pyrazol-5-yl)thieno[3,2-b]pyridin-7-yl]amino]methyl]propane-1,3-diol;7-bromo-N-tert-butyl-2-[2-(oxan-2-yl)pyrazol-3-yl]thieno[3,2-b]pyridin-5-amine;5-N-tert-butyl-2-[2-(oxan-2-yl)pyrazol-3-yl]-7-N-(oxetan-3-ylmethyl)thieno[3,2-b]pyridine-5,7-diamine;oxetan-3-ylmethanamine

C60H80BrN15O6S3 — CID 163498444

About 2-[[[5-amino-2-(1H-pyrazol-5-yl)thieno[3,2-b]pyridin-7-yl]amino]methyl]propane-1,3-diol;7-bromo-N-tert-butyl-2-[2-(oxan-2-yl)pyrazol-3-yl]thieno[3,2-b]pyridin-5-amine;5-N-tert-butyl-2-[2-(oxan-2-yl)pyrazol-3-yl]-7-N-(oxetan-3-ylmethyl)thieno[3,2-b]pyridine-5,7-diamine;oxetan-3-ylmethanamine

2-[[[5-amino-2-(1H-pyrazol-5-yl)thieno[3,2-b]pyridin-7-yl]amino]methyl]propane-1,3-diol;7-bromo-N-tert-butyl-2-[2-(oxan-2-yl)pyrazol-3-yl]thieno[3,2-b]pyridin-5-amine;5-N-tert-butyl-2-[2-(oxan-2-yl)pyrazol-3-yl]-7-N-(oxetan-3-ylmethyl)thieno[3,2-b]pyridine-5,7-diamine;oxetan-3-ylmethanamine (PubChem CID 163498444) has the molecular formula C60H80BrN15O6S3 and a molecular weight of 1283.50 g/mol. Its IUPAC name is 2-[[[5-amino-2-(1H-pyrazol-5-yl)thieno[3,2-b]pyridin-7-yl]amino]methyl]propane-1,3-diol;7-bromo-N-tert-butyl-2-[2-(oxan-2-yl)pyrazol-3-yl]thieno[3,2-b]pyridin-5-amine;5-N-tert-butyl-2-[2-(oxan-2-yl)pyrazol-3-yl]-7-N-(oxetan-3-ylmethyl)thieno[3,2-b]pyridine-5,7-diamine;oxetan-3-ylmethanamine.

Molecular Properties

• Compound Name: 2-[[[5-amino-2-(1H-pyrazol-5-yl)thieno[3,2-b]pyridin-7-yl]amino]methyl]propane-1,3-diol;7-bromo-N-tert-butyl-2-[2-(oxan-2-yl)pyrazol-3-yl]thieno[3,2-b]pyridin-5-amine;5-N-tert-butyl-2-[2-(oxan-2-yl)pyrazol-3-yl]-7-N-(oxetan-3-ylmethyl)thieno[3,2-b]pyridine-5,7-diamine;oxetan-3-ylmethanamine
• PubChem CID: 163498444
• Molecular Formula: C60H80BrN15O6S3
• Molecular Weight: 1283.50 g/mol
• Exact Mass: 1281.48
• IUPAC Name: 2-[[[5-amino-2-(1H-pyrazol-5-yl)thieno[3,2-b]pyridin-7-yl]amino]methyl]propane-1,3-diol;7-bromo-N-tert-butyl-2-[2-(oxan-2-yl)pyrazol-3-yl]thieno[3,2-b]pyridin-5-amine;5-N-tert-butyl-2-[2-(oxan-2-yl)pyrazol-3-yl]-7-N-(oxetan-3-ylmethyl)thieno[3,2-b]pyridine-5,7-diamine;oxetan-3-ylmethanamine
• SMILES: CC(C)(C)Nc1cc(Br)c2sc(-c3ccnn3C3CCCCO3)cc2n1.CC(C)(C)Nc1cc(NCC2COC2)c2sc(-c3ccnn3C3CCCCO3)cc2n1.NCC1COC1.Nc1cc(NCC(CO)CO)c2sc(-c3ccn[nH]3)cc2n1
• InChI: InChI=1S/C23H31N5O2S.C19H23BrN4OS.C14H17N5O2S.C4H9NO/c1-23(2,3)27-20-11-16(24-12-15-13-29-14-15)22-17(26-20)10-19(31-22)18-7-8-25-28(18)21-6-4-5-9-30-21;1-19(2,3)23-16-10-12(20)18-13(22-16)11-15(26-18)14-7-8-21-24(14)17-6-4-5-9-25-17;15-13-4-10(16-5-8(6-20)7-21)14-11(18-13)3-12(22-14)9-1-2-17-19-9;5-1-4-2-6-3-4/h7-8,10-11,15,21H,4-6,9,12-14H2,1-3H3,(H2,24,26,27);7-8,10-11,17H,4-6,9H2,1-3H3,(H,22,23);1-4,8,20-21H,5-7H2,(H,17,19)(H3,15,16,18);4H,1-3,5H2
• InChIKey: CSRJGKBJDWTVQK-UHFFFAOYSA-N
• XLogP: 11.83
• TPSA: 280.53 Ų
• H-Bond Donors: 9
• H-Bond Acceptors: 23
• Rotatable Bonds: 16
• Heavy Atoms: 85
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1283.50
LogP ≤ 5	11.83
H-Bond Donors ≤ 5	9
H-Bond Acceptors ≤ 10	23

Frequently Asked Questions

What is the IUPAC name of 2-[[[5-amino-2-(1H-pyrazol-5-yl)thieno[3,2-b]pyridin-7-yl]amino]methyl]propane-1,3-diol;7-bromo-N-tert-butyl-2-[2-(oxan-2-yl)pyrazol-3-yl]thieno[3,2-b]pyridin-5-amine;5-N-tert-butyl-2-[2-(oxan-2-yl)pyrazol-3-yl]-7-N-(oxetan-3-ylmethyl)thieno[3,2-b]pyridine-5,7-diamine;oxetan-3-ylmethanamine?

The IUPAC name of 2-[[[5-amino-2-(1H-pyrazol-5-yl)thieno[3,2-b]pyridin-7-yl]amino]methyl]propane-1,3-diol;7-bromo-N-tert-butyl-2-[2-(oxan-2-yl)pyrazol-3-yl]thieno[3,2-b]pyridin-5-amine;5-N-tert-butyl-2-[2-(oxan-2-yl)pyrazol-3-yl]-7-N-(oxetan-3-ylmethyl)thieno[3,2-b]pyridine-5,7-diamine;oxetan-3-ylmethanamine (CID 163498444) is 2-[[[5-amino-2-(1H-pyrazol-5-yl)thieno[3,2-b]pyridin-7-yl]amino]methyl]propane-1,3-diol;7-bromo-N-tert-butyl-2-[2-(oxan-2-yl)pyrazol-3-yl]thieno[3,2-b]pyridin-5-amine;5-N-tert-butyl-2-[2-(oxan-2-yl)pyrazol-3-yl]-7-N-(oxetan-3-ylmethyl)thieno[3,2-b]pyridine-5,7-diamine;oxetan-3-ylmethanamine.

What is the SMILES notation for 2-[[[5-amino-2-(1H-pyrazol-5-yl)thieno[3,2-b]pyridin-7-yl]amino]methyl]propane-1,3-diol;7-bromo-N-tert-butyl-2-[2-(oxan-2-yl)pyrazol-3-yl]thieno[3,2-b]pyridin-5-amine;5-N-tert-butyl-2-[2-(oxan-2-yl)pyrazol-3-yl]-7-N-(oxetan-3-ylmethyl)thieno[3,2-b]pyridine-5,7-diamine;oxetan-3-ylmethanamine?

The canonical SMILES for 2-[[[5-amino-2-(1H-pyrazol-5-yl)thieno[3,2-b]pyridin-7-yl]amino]methyl]propane-1,3-diol;7-bromo-N-tert-butyl-2-[2-(oxan-2-yl)pyrazol-3-yl]thieno[3,2-b]pyridin-5-amine;5-N-tert-butyl-2-[2-(oxan-2-yl)pyrazol-3-yl]-7-N-(oxetan-3-ylmethyl)thieno[3,2-b]pyridine-5,7-diamine;oxetan-3-ylmethanamine is CC(C)(C)Nc1cc(Br)c2sc(-c3ccnn3C3CCCCO3)cc2n1.CC(C)(C)Nc1cc(NCC2COC2)c2sc(-c3ccnn3C3CCCCO3)cc2n1.NCC1COC1.Nc1cc(NCC(CO)CO)c2sc(-c3ccn[nH]3)cc2n1.

What is the InChIKey of 2-[[[5-amino-2-(1H-pyrazol-5-yl)thieno[3,2-b]pyridin-7-yl]amino]methyl]propane-1,3-diol;7-bromo-N-tert-butyl-2-[2-(oxan-2-yl)pyrazol-3-yl]thieno[3,2-b]pyridin-5-amine;5-N-tert-butyl-2-[2-(oxan-2-yl)pyrazol-3-yl]-7-N-(oxetan-3-ylmethyl)thieno[3,2-b]pyridine-5,7-diamine;oxetan-3-ylmethanamine?

The InChIKey is CSRJGKBJDWTVQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H31N5O2S.C19H23BrN4OS.C14H17N5O2S.C4H9NO/c1-23(2,3)27-20-11-16(24-12-15-13-29-14-15)22-17(26-20)10-19(31-22)18-7-8-25-28(18)21-6-4-5-9-30-21;1-19(2,3)23-16-10-12(20)18-13(22-16)11-15(26-18)14-7-8-21-24(14)17-6-4-5-9-25-17;15-13-4-10(16-5-8(6-20)7-21)14-11(18-13)3-12(22-14)9-1-2-17-19-9;5-1-4-2-6-3-4/h7-8,10-11,15,21H,4-6,9,12-14H2,1-3H3,(H2,24,26,27);7-8,10-11,17H,4-6,9H2,1-3H3,(H,22,23);1-4,8,20-21H,5-7H2,(H,17,19)(H3,15,16,18);4H,1-3,5H2.

What are the key properties of 2-[[[5-amino-2-(1H-pyrazol-5-yl)thieno[3,2-b]pyridin-7-yl]amino]methyl]propane-1,3-diol;7-bromo-N-tert-butyl-2-[2-(oxan-2-yl)pyrazol-3-yl]thieno[3,2-b]pyridin-5-amine;5-N-tert-butyl-2-[2-(oxan-2-yl)pyrazol-3-yl]-7-N-(oxetan-3-ylmethyl)thieno[3,2-b]pyridine-5,7-diamine;oxetan-3-ylmethanamine?

2-[[[5-amino-2-(1H-pyrazol-5-yl)thieno[3,2-b]pyridin-7-yl]amino]methyl]propane-1,3-diol;7-bromo-N-tert-butyl-2-[2-(oxan-2-yl)pyrazol-3-yl]thieno[3,2-b]pyridin-5-amine;5-N-tert-butyl-2-[2-(oxan-2-yl)pyrazol-3-yl]-7-N-(oxetan-3-ylmethyl)thieno[3,2-b]pyridine-5,7-diamine;oxetan-3-ylmethanamine has a molecular weight of 1283.50 g/mol, XLogP of 11.83, 16 rotatable bonds, 9 hydrogen bond donors, and 23 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[[[5-amino-2-(1H-pyrazol-5-yl)thieno[3,2-b]pyridin-7-yl]amino]methyl]propane-1,3-diol;7-bromo-N-tert-butyl-2-[2-(oxan-2-yl)pyrazol-3-yl]thieno[3,2-b]pyridin-5-amine;5-N-tert-butyl-2-[2-(oxan-2-yl)pyrazol-3-yl]-7-N-(oxetan-3-ylmethyl)thieno[3,2-b]pyridine-5,7-diamine;oxetan-3-ylmethanamine is sourced from PubChem (CID 163498444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).