1-(2-aminoethyl)pyrrolidin-2-one;1-[2-[[5-amino-2-(1H-pyrazol-5-yl)thieno[3,2-b]pyridin-7-yl]amino]ethyl]pyrrolidin-2-one;7-bromo-N-tert-butyl-2-[2-(oxan-2-yl)pyrazol-3-yl]thieno[3,2-b]pyridin-5-amine;1-[2-[[5-(tert-butylamino)-2-[2-(oxan-2-yl)pyrazol-3-yl]thieno[3,2-b]pyridin-7-yl]amino]ethyl]pyrrolidin-2-one

C66H87BrN18O5S3 — CID 163447742

About 1-(2-aminoethyl)pyrrolidin-2-one;1-[2-[[5-amino-2-(1H-pyrazol-5-yl)thieno[3,2-b]pyridin-7-yl]amino]ethyl]pyrrolidin-2-one;7-bromo-N-tert-butyl-2-[2-(oxan-2-yl)pyrazol-3-yl]thieno[3,2-b]pyridin-5-amine;1-[2-[[5-(tert-butylamino)-2-[2-(oxan-2-yl)pyrazol-3-yl]thieno[3,2-b]pyridin-7-yl]amino]ethyl]pyrrolidin-2-one

1-(2-aminoethyl)pyrrolidin-2-one;1-[2-[[5-amino-2-(1H-pyrazol-5-yl)thieno[3,2-b]pyridin-7-yl]amino]ethyl]pyrrolidin-2-one;7-bromo-N-tert-butyl-2-[2-(oxan-2-yl)pyrazol-3-yl]thieno[3,2-b]pyridin-5-amine;1-[2-[[5-(tert-butylamino)-2-[2-(oxan-2-yl)pyrazol-3-yl]thieno[3,2-b]pyridin-7-yl]amino]ethyl]pyrrolidin-2-one (PubChem CID 163447742) has the molecular formula C66H87BrN18O5S3 and a molecular weight of 1388.65 g/mol. Its IUPAC name is 1-(2-aminoethyl)pyrrolidin-2-one;1-[2-[[5-amino-2-(1H-pyrazol-5-yl)thieno[3,2-b]pyridin-7-yl]amino]ethyl]pyrrolidin-2-one;7-bromo-N-tert-butyl-2-[2-(oxan-2-yl)pyrazol-3-yl]thieno[3,2-b]pyridin-5-amine;1-[2-[[5-(tert-butylamino)-2-[2-(oxan-2-yl)pyrazol-3-yl]thieno[3,2-b]pyridin-7-yl]amino]ethyl]pyrrolidin-2-one.

Molecular Properties

• Compound Name: 1-(2-aminoethyl)pyrrolidin-2-one;1-[2-[[5-amino-2-(1H-pyrazol-5-yl)thieno[3,2-b]pyridin-7-yl]amino]ethyl]pyrrolidin-2-one;7-bromo-N-tert-butyl-2-[2-(oxan-2-yl)pyrazol-3-yl]thieno[3,2-b]pyridin-5-amine;1-[2-[[5-(tert-butylamino)-2-[2-(oxan-2-yl)pyrazol-3-yl]thieno[3,2-b]pyridin-7-yl]amino]ethyl]pyrrolidin-2-one
• PubChem CID: 163447742
• Molecular Formula: C66H87BrN18O5S3
• Molecular Weight: 1388.65 g/mol
• Exact Mass: 1386.55
• IUPAC Name: 1-(2-aminoethyl)pyrrolidin-2-one;1-[2-[[5-amino-2-(1H-pyrazol-5-yl)thieno[3,2-b]pyridin-7-yl]amino]ethyl]pyrrolidin-2-one;7-bromo-N-tert-butyl-2-[2-(oxan-2-yl)pyrazol-3-yl]thieno[3,2-b]pyridin-5-amine;1-[2-[[5-(tert-butylamino)-2-[2-(oxan-2-yl)pyrazol-3-yl]thieno[3,2-b]pyridin-7-yl]amino]ethyl]pyrrolidin-2-one
• SMILES: CC(C)(C)Nc1cc(Br)c2sc(-c3ccnn3C3CCCCO3)cc2n1.CC(C)(C)Nc1cc(NCCN2CCCC2=O)c2sc(-c3ccnn3C3CCCCO3)cc2n1.NCCN1CCCC1=O.Nc1cc(NCCN2CCCC2=O)c2sc(-c3ccn[nH]3)cc2n1
• InChI: InChI=1S/C25H34N6O2S.C19H23BrN4OS.C16H18N6OS.C6H12N2O/c1-25(2,3)29-21-16-17(26-11-13-30-12-6-7-22(30)32)24-18(28-21)15-20(34-24)19-9-10-27-31(19)23-8-4-5-14-33-23;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;17-14-9-11(18-5-7-22-6-1-2-15(22)23)16-12(20-14)8-13(24-16)10-3-4-19-21-10;7-3-5-8-4-1-2-6(8)9/h9-10,15-16,23H,4-8,11-14H2,1-3H3,(H2,26,28,29);7-8,10-11,17H,4-6,9H2,1-3H3,(H,22,23);3-4,8-9H,1-2,5-7H2,(H,19,21)(H3,17,18,20);1-5,7H2
• InChIKey: BDXZPJPRODEHLA-UHFFFAOYSA-N
• XLogP: 12.81
• TPSA: 282.54 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 22
• Rotatable Bonds: 17
• Heavy Atoms: 93
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1388.65
LogP ≤ 5	12.81
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	22

Frequently Asked Questions

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

The IUPAC name of 1-(2-aminoethyl)pyrrolidin-2-one;1-[2-[[5-amino-2-(1H-pyrazol-5-yl)thieno[3,2-b]pyridin-7-yl]amino]ethyl]pyrrolidin-2-one;7-bromo-N-tert-butyl-2-[2-(oxan-2-yl)pyrazol-3-yl]thieno[3,2-b]pyridin-5-amine;1-[2-[[5-(tert-butylamino)-2-[2-(oxan-2-yl)pyrazol-3-yl]thieno[3,2-b]pyridin-7-yl]amino]ethyl]pyrrolidin-2-one (CID 163447742) is 1-(2-aminoethyl)pyrrolidin-2-one;1-[2-[[5-amino-2-(1H-pyrazol-5-yl)thieno[3,2-b]pyridin-7-yl]amino]ethyl]pyrrolidin-2-one;7-bromo-N-tert-butyl-2-[2-(oxan-2-yl)pyrazol-3-yl]thieno[3,2-b]pyridin-5-amine;1-[2-[[5-(tert-butylamino)-2-[2-(oxan-2-yl)pyrazol-3-yl]thieno[3,2-b]pyridin-7-yl]amino]ethyl]pyrrolidin-2-one.

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

The canonical SMILES for 1-(2-aminoethyl)pyrrolidin-2-one;1-[2-[[5-amino-2-(1H-pyrazol-5-yl)thieno[3,2-b]pyridin-7-yl]amino]ethyl]pyrrolidin-2-one;7-bromo-N-tert-butyl-2-[2-(oxan-2-yl)pyrazol-3-yl]thieno[3,2-b]pyridin-5-amine;1-[2-[[5-(tert-butylamino)-2-[2-(oxan-2-yl)pyrazol-3-yl]thieno[3,2-b]pyridin-7-yl]amino]ethyl]pyrrolidin-2-one is CC(C)(C)Nc1cc(Br)c2sc(-c3ccnn3C3CCCCO3)cc2n1.CC(C)(C)Nc1cc(NCCN2CCCC2=O)c2sc(-c3ccnn3C3CCCCO3)cc2n1.NCCN1CCCC1=O.Nc1cc(NCCN2CCCC2=O)c2sc(-c3ccn[nH]3)cc2n1.

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

The InChIKey is BDXZPJPRODEHLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H34N6O2S.C19H23BrN4OS.C16H18N6OS.C6H12N2O/c1-25(2,3)29-21-16-17(26-11-13-30-12-6-7-22(30)32)24-18(28-21)15-20(34-24)19-9-10-27-31(19)23-8-4-5-14-33-23;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;17-14-9-11(18-5-7-22-6-1-2-15(22)23)16-12(20-14)8-13(24-16)10-3-4-19-21-10;7-3-5-8-4-1-2-6(8)9/h9-10,15-16,23H,4-8,11-14H2,1-3H3,(H2,26,28,29);7-8,10-11,17H,4-6,9H2,1-3H3,(H,22,23);3-4,8-9H,1-2,5-7H2,(H,19,21)(H3,17,18,20);1-5,7H2.

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

1-(2-aminoethyl)pyrrolidin-2-one;1-[2-[[5-amino-2-(1H-pyrazol-5-yl)thieno[3,2-b]pyridin-7-yl]amino]ethyl]pyrrolidin-2-one;7-bromo-N-tert-butyl-2-[2-(oxan-2-yl)pyrazol-3-yl]thieno[3,2-b]pyridin-5-amine;1-[2-[[5-(tert-butylamino)-2-[2-(oxan-2-yl)pyrazol-3-yl]thieno[3,2-b]pyridin-7-yl]amino]ethyl]pyrrolidin-2-one has a molecular weight of 1388.65 g/mol, XLogP of 12.81, 17 rotatable bonds, 7 hydrogen bond donors, and 22 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(2-aminoethyl)pyrrolidin-2-one;1-[2-[[5-amino-2-(1H-pyrazol-5-yl)thieno[3,2-b]pyridin-7-yl]amino]ethyl]pyrrolidin-2-one;7-bromo-N-tert-butyl-2-[2-(oxan-2-yl)pyrazol-3-yl]thieno[3,2-b]pyridin-5-amine;1-[2-[[5-(tert-butylamino)-2-[2-(oxan-2-yl)pyrazol-3-yl]thieno[3,2-b]pyridin-7-yl]amino]ethyl]pyrrolidin-2-one is sourced from PubChem (CID 163447742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).