1-(4-aminopiperidin-1-yl)ethanone;1-[4-[[5-amino-2-(1H-pyrazol-5-yl)thieno[3,2-b]pyridin-7-yl]amino]piperidin-1-yl]ethanone;7-bromo-N-tert-butyl-2-[2-(oxan-2-yl)pyrazol-3-yl]thieno[3,2-b]pyridin-5-amine;1-[4-[[5-(tert-butylamino)-2-[2-(oxan-2-yl)pyrazol-3-yl]thieno[3,2-b]pyridin-7-yl]amino]piperidin-1-yl]ethanone

C69H93BrN18O5S3 — CID 163655195

About 1-(4-aminopiperidin-1-yl)ethanone;1-[4-[[5-amino-2-(1H-pyrazol-5-yl)thieno[3,2-b]pyridin-7-yl]amino]piperidin-1-yl]ethanone;7-bromo-N-tert-butyl-2-[2-(oxan-2-yl)pyrazol-3-yl]thieno[3,2-b]pyridin-5-amine;1-[4-[[5-(tert-butylamino)-2-[2-(oxan-2-yl)pyrazol-3-yl]thieno[3,2-b]pyridin-7-yl]amino]piperidin-1-yl]ethanone

1-(4-aminopiperidin-1-yl)ethanone;1-[4-[[5-amino-2-(1H-pyrazol-5-yl)thieno[3,2-b]pyridin-7-yl]amino]piperidin-1-yl]ethanone;7-bromo-N-tert-butyl-2-[2-(oxan-2-yl)pyrazol-3-yl]thieno[3,2-b]pyridin-5-amine;1-[4-[[5-(tert-butylamino)-2-[2-(oxan-2-yl)pyrazol-3-yl]thieno[3,2-b]pyridin-7-yl]amino]piperidin-1-yl]ethanone (PubChem CID 163655195) has the molecular formula C69H93BrN18O5S3 and a molecular weight of 1430.73 g/mol. Its IUPAC name is 1-(4-aminopiperidin-1-yl)ethanone;1-[4-[[5-amino-2-(1H-pyrazol-5-yl)thieno[3,2-b]pyridin-7-yl]amino]piperidin-1-yl]ethanone;7-bromo-N-tert-butyl-2-[2-(oxan-2-yl)pyrazol-3-yl]thieno[3,2-b]pyridin-5-amine;1-[4-[[5-(tert-butylamino)-2-[2-(oxan-2-yl)pyrazol-3-yl]thieno[3,2-b]pyridin-7-yl]amino]piperidin-1-yl]ethanone.

Molecular Properties

• Compound Name: 1-(4-aminopiperidin-1-yl)ethanone;1-[4-[[5-amino-2-(1H-pyrazol-5-yl)thieno[3,2-b]pyridin-7-yl]amino]piperidin-1-yl]ethanone;7-bromo-N-tert-butyl-2-[2-(oxan-2-yl)pyrazol-3-yl]thieno[3,2-b]pyridin-5-amine;1-[4-[[5-(tert-butylamino)-2-[2-(oxan-2-yl)pyrazol-3-yl]thieno[3,2-b]pyridin-7-yl]amino]piperidin-1-yl]ethanone
• PubChem CID: 163655195
• Molecular Formula: C69H93BrN18O5S3
• Molecular Weight: 1430.73 g/mol
• Exact Mass: 1428.59
• IUPAC Name: 1-(4-aminopiperidin-1-yl)ethanone;1-[4-[[5-amino-2-(1H-pyrazol-5-yl)thieno[3,2-b]pyridin-7-yl]amino]piperidin-1-yl]ethanone;7-bromo-N-tert-butyl-2-[2-(oxan-2-yl)pyrazol-3-yl]thieno[3,2-b]pyridin-5-amine;1-[4-[[5-(tert-butylamino)-2-[2-(oxan-2-yl)pyrazol-3-yl]thieno[3,2-b]pyridin-7-yl]amino]piperidin-1-yl]ethanone
• SMILES: CC(=O)N1CCC(N)CC1.CC(=O)N1CCC(Nc2cc(N)nc3cc(-c4ccn[nH]4)sc23)CC1.CC(=O)N1CCC(Nc2cc(NC(C)(C)C)nc3cc(-c4ccnn4C4CCCCO4)sc23)CC1.CC(C)(C)Nc1cc(Br)c2sc(-c3ccnn3C3CCCCO3)cc2n1
• InChI: InChI=1S/C26H36N6O2S.C19H23BrN4OS.C17H20N6OS.C7H14N2O/c1-17(33)31-12-9-18(10-13-31)28-20-16-23(30-26(2,3)4)29-19-15-22(35-25(19)20)21-8-11-27-32(21)24-7-5-6-14-34-24;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;1-10(24)23-6-3-11(4-7-23)20-14-9-16(18)21-13-8-15(25-17(13)14)12-2-5-19-22-12;1-6(10)9-4-2-7(8)3-5-9/h8,11,15-16,18,24H,5-7,9-10,12-14H2,1-4H3,(H2,28,29,30);7-8,10-11,17H,4-6,9H2,1-3H3,(H,22,23);2,5,8-9,11H,3-4,6-7H2,1H3,(H,19,22)(H3,18,20,21);7H,2-5,8H2,1H3
• InChIKey: IPPPZMPMUAHVBT-UHFFFAOYSA-N
• XLogP: 13.97
• TPSA: 282.54 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 22
• Rotatable Bonds: 11
• Heavy Atoms: 96
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1430.73
LogP ≤ 5	13.97
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	22

Frequently Asked Questions

What is the IUPAC name of 1-(4-aminopiperidin-1-yl)ethanone;1-[4-[[5-amino-2-(1H-pyrazol-5-yl)thieno[3,2-b]pyridin-7-yl]amino]piperidin-1-yl]ethanone;7-bromo-N-tert-butyl-2-[2-(oxan-2-yl)pyrazol-3-yl]thieno[3,2-b]pyridin-5-amine;1-[4-[[5-(tert-butylamino)-2-[2-(oxan-2-yl)pyrazol-3-yl]thieno[3,2-b]pyridin-7-yl]amino]piperidin-1-yl]ethanone?

The IUPAC name of 1-(4-aminopiperidin-1-yl)ethanone;1-[4-[[5-amino-2-(1H-pyrazol-5-yl)thieno[3,2-b]pyridin-7-yl]amino]piperidin-1-yl]ethanone;7-bromo-N-tert-butyl-2-[2-(oxan-2-yl)pyrazol-3-yl]thieno[3,2-b]pyridin-5-amine;1-[4-[[5-(tert-butylamino)-2-[2-(oxan-2-yl)pyrazol-3-yl]thieno[3,2-b]pyridin-7-yl]amino]piperidin-1-yl]ethanone (CID 163655195) is 1-(4-aminopiperidin-1-yl)ethanone;1-[4-[[5-amino-2-(1H-pyrazol-5-yl)thieno[3,2-b]pyridin-7-yl]amino]piperidin-1-yl]ethanone;7-bromo-N-tert-butyl-2-[2-(oxan-2-yl)pyrazol-3-yl]thieno[3,2-b]pyridin-5-amine;1-[4-[[5-(tert-butylamino)-2-[2-(oxan-2-yl)pyrazol-3-yl]thieno[3,2-b]pyridin-7-yl]amino]piperidin-1-yl]ethanone.

What is the SMILES notation for 1-(4-aminopiperidin-1-yl)ethanone;1-[4-[[5-amino-2-(1H-pyrazol-5-yl)thieno[3,2-b]pyridin-7-yl]amino]piperidin-1-yl]ethanone;7-bromo-N-tert-butyl-2-[2-(oxan-2-yl)pyrazol-3-yl]thieno[3,2-b]pyridin-5-amine;1-[4-[[5-(tert-butylamino)-2-[2-(oxan-2-yl)pyrazol-3-yl]thieno[3,2-b]pyridin-7-yl]amino]piperidin-1-yl]ethanone?

The canonical SMILES for 1-(4-aminopiperidin-1-yl)ethanone;1-[4-[[5-amino-2-(1H-pyrazol-5-yl)thieno[3,2-b]pyridin-7-yl]amino]piperidin-1-yl]ethanone;7-bromo-N-tert-butyl-2-[2-(oxan-2-yl)pyrazol-3-yl]thieno[3,2-b]pyridin-5-amine;1-[4-[[5-(tert-butylamino)-2-[2-(oxan-2-yl)pyrazol-3-yl]thieno[3,2-b]pyridin-7-yl]amino]piperidin-1-yl]ethanone is CC(=O)N1CCC(N)CC1.CC(=O)N1CCC(Nc2cc(N)nc3cc(-c4ccn[nH]4)sc23)CC1.CC(=O)N1CCC(Nc2cc(NC(C)(C)C)nc3cc(-c4ccnn4C4CCCCO4)sc23)CC1.CC(C)(C)Nc1cc(Br)c2sc(-c3ccnn3C3CCCCO3)cc2n1.

What is the InChIKey of 1-(4-aminopiperidin-1-yl)ethanone;1-[4-[[5-amino-2-(1H-pyrazol-5-yl)thieno[3,2-b]pyridin-7-yl]amino]piperidin-1-yl]ethanone;7-bromo-N-tert-butyl-2-[2-(oxan-2-yl)pyrazol-3-yl]thieno[3,2-b]pyridin-5-amine;1-[4-[[5-(tert-butylamino)-2-[2-(oxan-2-yl)pyrazol-3-yl]thieno[3,2-b]pyridin-7-yl]amino]piperidin-1-yl]ethanone?

The InChIKey is IPPPZMPMUAHVBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H36N6O2S.C19H23BrN4OS.C17H20N6OS.C7H14N2O/c1-17(33)31-12-9-18(10-13-31)28-20-16-23(30-26(2,3)4)29-19-15-22(35-25(19)20)21-8-11-27-32(21)24-7-5-6-14-34-24;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;1-10(24)23-6-3-11(4-7-23)20-14-9-16(18)21-13-8-15(25-17(13)14)12-2-5-19-22-12;1-6(10)9-4-2-7(8)3-5-9/h8,11,15-16,18,24H,5-7,9-10,12-14H2,1-4H3,(H2,28,29,30);7-8,10-11,17H,4-6,9H2,1-3H3,(H,22,23);2,5,8-9,11H,3-4,6-7H2,1H3,(H,19,22)(H3,18,20,21);7H,2-5,8H2,1H3.

What are the key properties of 1-(4-aminopiperidin-1-yl)ethanone;1-[4-[[5-amino-2-(1H-pyrazol-5-yl)thieno[3,2-b]pyridin-7-yl]amino]piperidin-1-yl]ethanone;7-bromo-N-tert-butyl-2-[2-(oxan-2-yl)pyrazol-3-yl]thieno[3,2-b]pyridin-5-amine;1-[4-[[5-(tert-butylamino)-2-[2-(oxan-2-yl)pyrazol-3-yl]thieno[3,2-b]pyridin-7-yl]amino]piperidin-1-yl]ethanone?

1-(4-aminopiperidin-1-yl)ethanone;1-[4-[[5-amino-2-(1H-pyrazol-5-yl)thieno[3,2-b]pyridin-7-yl]amino]piperidin-1-yl]ethanone;7-bromo-N-tert-butyl-2-[2-(oxan-2-yl)pyrazol-3-yl]thieno[3,2-b]pyridin-5-amine;1-[4-[[5-(tert-butylamino)-2-[2-(oxan-2-yl)pyrazol-3-yl]thieno[3,2-b]pyridin-7-yl]amino]piperidin-1-yl]ethanone has a molecular weight of 1430.73 g/mol, XLogP of 13.97, 11 rotatable bonds, 7 hydrogen bond donors, and 22 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(4-aminopiperidin-1-yl)ethanone;1-[4-[[5-amino-2-(1H-pyrazol-5-yl)thieno[3,2-b]pyridin-7-yl]amino]piperidin-1-yl]ethanone;7-bromo-N-tert-butyl-2-[2-(oxan-2-yl)pyrazol-3-yl]thieno[3,2-b]pyridin-5-amine;1-[4-[[5-(tert-butylamino)-2-[2-(oxan-2-yl)pyrazol-3-yl]thieno[3,2-b]pyridin-7-yl]amino]piperidin-1-yl]ethanone is sourced from PubChem (CID 163655195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).