1-(2-aminoethyl)-4-methylpiperidin-4-ol;1-[2-[[5-amino-2-(1H-pyrazol-5-yl)thieno[3,2-b]pyridin-7-yl]amino]ethyl]-4-methylpiperidin-4-ol;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]-4-methylpiperidin-4-ol

C72H105BrN18O5S3 — CID 163414843

About 1-(2-aminoethyl)-4-methylpiperidin-4-ol;1-[2-[[5-amino-2-(1H-pyrazol-5-yl)thieno[3,2-b]pyridin-7-yl]amino]ethyl]-4-methylpiperidin-4-ol;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]-4-methylpiperidin-4-ol

1-(2-aminoethyl)-4-methylpiperidin-4-ol;1-[2-[[5-amino-2-(1H-pyrazol-5-yl)thieno[3,2-b]pyridin-7-yl]amino]ethyl]-4-methylpiperidin-4-ol;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]-4-methylpiperidin-4-ol (PubChem CID 163414843) has the molecular formula C72H105BrN18O5S3 and a molecular weight of 1478.86 g/mol. Its IUPAC name is 1-(2-aminoethyl)-4-methylpiperidin-4-ol;1-[2-[[5-amino-2-(1H-pyrazol-5-yl)thieno[3,2-b]pyridin-7-yl]amino]ethyl]-4-methylpiperidin-4-ol;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]-4-methylpiperidin-4-ol.

Molecular Properties

• Compound Name: 1-(2-aminoethyl)-4-methylpiperidin-4-ol;1-[2-[[5-amino-2-(1H-pyrazol-5-yl)thieno[3,2-b]pyridin-7-yl]amino]ethyl]-4-methylpiperidin-4-ol;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]-4-methylpiperidin-4-ol
• PubChem CID: 163414843
• Molecular Formula: C72H105BrN18O5S3
• Molecular Weight: 1478.86 g/mol
• Exact Mass: 1476.69
• IUPAC Name: 1-(2-aminoethyl)-4-methylpiperidin-4-ol;1-[2-[[5-amino-2-(1H-pyrazol-5-yl)thieno[3,2-b]pyridin-7-yl]amino]ethyl]-4-methylpiperidin-4-ol;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]-4-methylpiperidin-4-ol
• SMILES: CC(C)(C)Nc1cc(Br)c2sc(-c3ccnn3C3CCCCO3)cc2n1.CC1(O)CCN(CCN)CC1.CC1(O)CCN(CCNc2cc(N)nc3cc(-c4ccn[nH]4)sc23)CC1.CC1(O)CCN(CCNc2cc(NC(C)(C)C)nc3cc(-c4ccnn4C4CCCCO4)sc23)CC1
• InChI: InChI=1S/C27H40N6O2S.C19H23BrN4OS.C18H24N6OS.C8H18N2O/c1-26(2,3)31-23-18-19(28-12-15-32-13-9-27(4,34)10-14-32)25-20(30-23)17-22(36-25)21-8-11-29-33(21)24-7-5-6-16-35-24;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;1-18(25)3-7-24(8-4-18)9-6-20-13-11-16(19)22-14-10-15(26-17(13)14)12-2-5-21-23-12;1-8(11)2-5-10(6-3-8)7-4-9/h8,11,17-18,24,34H,5-7,9-10,12-16H2,1-4H3,(H2,28,30,31);7-8,10-11,17H,4-6,9H2,1-3H3,(H,22,23);2,5,10-11,25H,3-4,6-9H2,1H3,(H,21,23)(H3,19,20,22);11H,2-7,9H2,1H3
• InChIKey: ADNAGEJAKNMDJF-UHFFFAOYSA-N
• XLogP: 13.48
• TPSA: 292.02 Ų
• H-Bond Donors: 10
• H-Bond Acceptors: 25
• Rotatable Bonds: 17
• Heavy Atoms: 99
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1478.86
LogP ≤ 5	13.48
H-Bond Donors ≤ 5	10
H-Bond Acceptors ≤ 10	25

Frequently Asked Questions

What is the IUPAC name of 1-(2-aminoethyl)-4-methylpiperidin-4-ol;1-[2-[[5-amino-2-(1H-pyrazol-5-yl)thieno[3,2-b]pyridin-7-yl]amino]ethyl]-4-methylpiperidin-4-ol;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]-4-methylpiperidin-4-ol?

The IUPAC name of 1-(2-aminoethyl)-4-methylpiperidin-4-ol;1-[2-[[5-amino-2-(1H-pyrazol-5-yl)thieno[3,2-b]pyridin-7-yl]amino]ethyl]-4-methylpiperidin-4-ol;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]-4-methylpiperidin-4-ol (CID 163414843) is 1-(2-aminoethyl)-4-methylpiperidin-4-ol;1-[2-[[5-amino-2-(1H-pyrazol-5-yl)thieno[3,2-b]pyridin-7-yl]amino]ethyl]-4-methylpiperidin-4-ol;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]-4-methylpiperidin-4-ol.

What is the SMILES notation for 1-(2-aminoethyl)-4-methylpiperidin-4-ol;1-[2-[[5-amino-2-(1H-pyrazol-5-yl)thieno[3,2-b]pyridin-7-yl]amino]ethyl]-4-methylpiperidin-4-ol;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]-4-methylpiperidin-4-ol?

The canonical SMILES for 1-(2-aminoethyl)-4-methylpiperidin-4-ol;1-[2-[[5-amino-2-(1H-pyrazol-5-yl)thieno[3,2-b]pyridin-7-yl]amino]ethyl]-4-methylpiperidin-4-ol;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]-4-methylpiperidin-4-ol is CC(C)(C)Nc1cc(Br)c2sc(-c3ccnn3C3CCCCO3)cc2n1.CC1(O)CCN(CCN)CC1.CC1(O)CCN(CCNc2cc(N)nc3cc(-c4ccn[nH]4)sc23)CC1.CC1(O)CCN(CCNc2cc(NC(C)(C)C)nc3cc(-c4ccnn4C4CCCCO4)sc23)CC1.

What is the InChIKey of 1-(2-aminoethyl)-4-methylpiperidin-4-ol;1-[2-[[5-amino-2-(1H-pyrazol-5-yl)thieno[3,2-b]pyridin-7-yl]amino]ethyl]-4-methylpiperidin-4-ol;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]-4-methylpiperidin-4-ol?

The InChIKey is ADNAGEJAKNMDJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H40N6O2S.C19H23BrN4OS.C18H24N6OS.C8H18N2O/c1-26(2,3)31-23-18-19(28-12-15-32-13-9-27(4,34)10-14-32)25-20(30-23)17-22(36-25)21-8-11-29-33(21)24-7-5-6-16-35-24;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;1-18(25)3-7-24(8-4-18)9-6-20-13-11-16(19)22-14-10-15(26-17(13)14)12-2-5-21-23-12;1-8(11)2-5-10(6-3-8)7-4-9/h8,11,17-18,24,34H,5-7,9-10,12-16H2,1-4H3,(H2,28,30,31);7-8,10-11,17H,4-6,9H2,1-3H3,(H,22,23);2,5,10-11,25H,3-4,6-9H2,1H3,(H,21,23)(H3,19,20,22);11H,2-7,9H2,1H3.

What are the key properties of 1-(2-aminoethyl)-4-methylpiperidin-4-ol;1-[2-[[5-amino-2-(1H-pyrazol-5-yl)thieno[3,2-b]pyridin-7-yl]amino]ethyl]-4-methylpiperidin-4-ol;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]-4-methylpiperidin-4-ol?

1-(2-aminoethyl)-4-methylpiperidin-4-ol;1-[2-[[5-amino-2-(1H-pyrazol-5-yl)thieno[3,2-b]pyridin-7-yl]amino]ethyl]-4-methylpiperidin-4-ol;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]-4-methylpiperidin-4-ol has a molecular weight of 1478.86 g/mol, XLogP of 13.48, 17 rotatable bonds, 10 hydrogen bond donors, and 25 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(2-aminoethyl)-4-methylpiperidin-4-ol;1-[2-[[5-amino-2-(1H-pyrazol-5-yl)thieno[3,2-b]pyridin-7-yl]amino]ethyl]-4-methylpiperidin-4-ol;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]-4-methylpiperidin-4-ol is sourced from PubChem (CID 163414843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).