7-bromo-N-tert-butyl-2-[2-(oxan-2-yl)pyrazol-3-yl]thieno[3,2-b]pyridin-5-amine;cis-(1R,3S)-3-aminocyclopentan-1-ol;bis(cis-(1R,3S)-3-[[5-amino-2-(1H-pyrazol-5-yl)thieno[3,2-b]pyridin-7-yl]amino]cyclopentan-1-ol);cis-(1R,3S)-3-[[5-(tert-butylamino)-2-[2-(oxan-2-yl)pyrazol-3-yl]thieno[3,2-b]pyridin-7-yl]amino]cyclopentan-1-ol;hydrochloride

C78H102BrClN20O6S4 — CID 163505435

About 7-bromo-N-tert-butyl-2-[2-(oxan-2-yl)pyrazol-3-yl]thieno[3,2-b]pyridin-5-amine;cis-(1R,3S)-3-aminocyclopentan-1-ol;bis(cis-(1R,3S)-3-[[5-amino-2-(1H-pyrazol-5-yl)thieno[3,2-b]pyridin-7-yl]amino]cyclopentan-1-ol);cis-(1R,3S)-3-[[5-(tert-butylamino)-2-[2-(oxan-2-yl)pyrazol-3-yl]thieno[3,2-b]pyridin-7-yl]amino]cyclopentan-1-ol;hydrochloride

7-bromo-N-tert-butyl-2-[2-(oxan-2-yl)pyrazol-3-yl]thieno[3,2-b]pyridin-5-amine;cis-(1R,3S)-3-aminocyclopentan-1-ol;bis(cis-(1R,3S)-3-[[5-amino-2-(1H-pyrazol-5-yl)thieno[3,2-b]pyridin-7-yl]amino]cyclopentan-1-ol);cis-(1R,3S)-3-[[5-(tert-butylamino)-2-[2-(oxan-2-yl)pyrazol-3-yl]thieno[3,2-b]pyridin-7-yl]amino]cyclopentan-1-ol;hydrochloride (PubChem CID 163505435) has the molecular formula C78H102BrClN20O6S4 and a molecular weight of 1659.43 g/mol. Its IUPAC name is 7-bromo-N-tert-butyl-2-[2-(oxan-2-yl)pyrazol-3-yl]thieno[3,2-b]pyridin-5-amine;cis-(1R,3S)-3-aminocyclopentan-1-ol;bis(cis-(1R,3S)-3-[[5-amino-2-(1H-pyrazol-5-yl)thieno[3,2-b]pyridin-7-yl]amino]cyclopentan-1-ol);cis-(1R,3S)-3-[[5-(tert-butylamino)-2-[2-(oxan-2-yl)pyrazol-3-yl]thieno[3,2-b]pyridin-7-yl]amino]cyclopentan-1-ol;hydrochloride.

Molecular Properties

• Compound Name: 7-bromo-N-tert-butyl-2-[2-(oxan-2-yl)pyrazol-3-yl]thieno[3,2-b]pyridin-5-amine;cis-(1R,3S)-3-aminocyclopentan-1-ol;bis(cis-(1R,3S)-3-[[5-amino-2-(1H-pyrazol-5-yl)thieno[3,2-b]pyridin-7-yl]amino]cyclopentan-1-ol);cis-(1R,3S)-3-[[5-(tert-butylamino)-2-[2-(oxan-2-yl)pyrazol-3-yl]thieno[3,2-b]pyridin-7-yl]amino]cyclopentan-1-ol;hydrochloride
• PubChem CID: 163505435
• Molecular Formula: C78H102BrClN20O6S4
• Molecular Weight: 1659.43 g/mol
• Exact Mass: 1656.60
• IUPAC Name: 7-bromo-N-tert-butyl-2-[2-(oxan-2-yl)pyrazol-3-yl]thieno[3,2-b]pyridin-5-amine;cis-(1R,3S)-3-aminocyclopentan-1-ol;bis(cis-(1R,3S)-3-[[5-amino-2-(1H-pyrazol-5-yl)thieno[3,2-b]pyridin-7-yl]amino]cyclopentan-1-ol);cis-(1R,3S)-3-[[5-(tert-butylamino)-2-[2-(oxan-2-yl)pyrazol-3-yl]thieno[3,2-b]pyridin-7-yl]amino]cyclopentan-1-ol;hydrochloride
• SMILES: CC(C)(C)Nc1cc(Br)c2sc(-c3ccnn3C3CCCCO3)cc2n1.CC(C)(C)Nc1cc(N[C@H]2CC[C@@H](O)C2)c2sc(-c3ccnn3C3CCCCO3)cc2n1.Cl.N[C@H]1CC[C@@H](O)C1.Nc1cc(N[C@H]2CC[C@@H](O)C2)c2sc(-c3ccn[nH]3)cc2n1.Nc1cc(N[C@H]2CC[C@@H](O)C2)c2sc(-c3ccn[nH]3)cc2n1
• InChI: InChI=1S/C24H33N5O2S.C19H23BrN4OS.2C15H17N5OS.C5H11NO.ClH/c1-24(2,3)28-21-14-18(26-15-7-8-16(30)12-15)23-17(27-21)13-20(32-23)19-9-10-25-29(19)22-6-4-5-11-31-22;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;2*16-14-7-12(18-8-1-2-9(21)5-8)15-11(19-14)6-13(22-15)10-3-4-17-20-10;6-4-1-2-5(7)3-4;/h9-10,13-16,22,30H,4-8,11-12H2,1-3H3,(H2,26,27,28);7-8,10-11,17H,4-6,9H2,1-3H3,(H,22,23);2*3-4,6-9,21H,1-2,5H2,(H,17,20)(H3,16,18,19);4-5,7H,1-3,6H2;1H/t15-,16+,22?;;2*8-,9+;4-,5+;/m0.000./s1
• InChIKey: OOIUHBOCWXMDPI-RWQGVZQZSA-N
• XLogP: 16.69
• TPSA: 382.15 Ų
• H-Bond Donors: 14
• H-Bond Acceptors: 28
• Rotatable Bonds: 14
• Heavy Atoms: 110
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1659.43
LogP ≤ 5	16.69
H-Bond Donors ≤ 5	14
H-Bond Acceptors ≤ 10	28

Frequently Asked Questions

What is the IUPAC name of 7-bromo-N-tert-butyl-2-[2-(oxan-2-yl)pyrazol-3-yl]thieno[3,2-b]pyridin-5-amine;cis-(1R,3S)-3-aminocyclopentan-1-ol;bis(cis-(1R,3S)-3-[[5-amino-2-(1H-pyrazol-5-yl)thieno[3,2-b]pyridin-7-yl]amino]cyclopentan-1-ol);cis-(1R,3S)-3-[[5-(tert-butylamino)-2-[2-(oxan-2-yl)pyrazol-3-yl]thieno[3,2-b]pyridin-7-yl]amino]cyclopentan-1-ol;hydrochloride?

The IUPAC name of 7-bromo-N-tert-butyl-2-[2-(oxan-2-yl)pyrazol-3-yl]thieno[3,2-b]pyridin-5-amine;cis-(1R,3S)-3-aminocyclopentan-1-ol;bis(cis-(1R,3S)-3-[[5-amino-2-(1H-pyrazol-5-yl)thieno[3,2-b]pyridin-7-yl]amino]cyclopentan-1-ol);cis-(1R,3S)-3-[[5-(tert-butylamino)-2-[2-(oxan-2-yl)pyrazol-3-yl]thieno[3,2-b]pyridin-7-yl]amino]cyclopentan-1-ol;hydrochloride (CID 163505435) is 7-bromo-N-tert-butyl-2-[2-(oxan-2-yl)pyrazol-3-yl]thieno[3,2-b]pyridin-5-amine;cis-(1R,3S)-3-aminocyclopentan-1-ol;bis(cis-(1R,3S)-3-[[5-amino-2-(1H-pyrazol-5-yl)thieno[3,2-b]pyridin-7-yl]amino]cyclopentan-1-ol);cis-(1R,3S)-3-[[5-(tert-butylamino)-2-[2-(oxan-2-yl)pyrazol-3-yl]thieno[3,2-b]pyridin-7-yl]amino]cyclopentan-1-ol;hydrochloride.

What is the SMILES notation for 7-bromo-N-tert-butyl-2-[2-(oxan-2-yl)pyrazol-3-yl]thieno[3,2-b]pyridin-5-amine;cis-(1R,3S)-3-aminocyclopentan-1-ol;bis(cis-(1R,3S)-3-[[5-amino-2-(1H-pyrazol-5-yl)thieno[3,2-b]pyridin-7-yl]amino]cyclopentan-1-ol);cis-(1R,3S)-3-[[5-(tert-butylamino)-2-[2-(oxan-2-yl)pyrazol-3-yl]thieno[3,2-b]pyridin-7-yl]amino]cyclopentan-1-ol;hydrochloride?

The canonical SMILES for 7-bromo-N-tert-butyl-2-[2-(oxan-2-yl)pyrazol-3-yl]thieno[3,2-b]pyridin-5-amine;cis-(1R,3S)-3-aminocyclopentan-1-ol;bis(cis-(1R,3S)-3-[[5-amino-2-(1H-pyrazol-5-yl)thieno[3,2-b]pyridin-7-yl]amino]cyclopentan-1-ol);cis-(1R,3S)-3-[[5-(tert-butylamino)-2-[2-(oxan-2-yl)pyrazol-3-yl]thieno[3,2-b]pyridin-7-yl]amino]cyclopentan-1-ol;hydrochloride is CC(C)(C)Nc1cc(Br)c2sc(-c3ccnn3C3CCCCO3)cc2n1.CC(C)(C)Nc1cc(N[C@H]2CC[C@@H](O)C2)c2sc(-c3ccnn3C3CCCCO3)cc2n1.Cl.N[C@H]1CC[C@@H](O)C1.Nc1cc(N[C@H]2CC[C@@H](O)C2)c2sc(-c3ccn[nH]3)cc2n1.Nc1cc(N[C@H]2CC[C@@H](O)C2)c2sc(-c3ccn[nH]3)cc2n1.

What is the InChIKey of 7-bromo-N-tert-butyl-2-[2-(oxan-2-yl)pyrazol-3-yl]thieno[3,2-b]pyridin-5-amine;cis-(1R,3S)-3-aminocyclopentan-1-ol;bis(cis-(1R,3S)-3-[[5-amino-2-(1H-pyrazol-5-yl)thieno[3,2-b]pyridin-7-yl]amino]cyclopentan-1-ol);cis-(1R,3S)-3-[[5-(tert-butylamino)-2-[2-(oxan-2-yl)pyrazol-3-yl]thieno[3,2-b]pyridin-7-yl]amino]cyclopentan-1-ol;hydrochloride?

The InChIKey is OOIUHBOCWXMDPI-RWQGVZQZSA-N. The full InChI is InChI=1S/C24H33N5O2S.C19H23BrN4OS.2C15H17N5OS.C5H11NO.ClH/c1-24(2,3)28-21-14-18(26-15-7-8-16(30)12-15)23-17(27-21)13-20(32-23)19-9-10-25-29(19)22-6-4-5-11-31-22;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;2*16-14-7-12(18-8-1-2-9(21)5-8)15-11(19-14)6-13(22-15)10-3-4-17-20-10;6-4-1-2-5(7)3-4;/h9-10,13-16,22,30H,4-8,11-12H2,1-3H3,(H2,26,27,28);7-8,10-11,17H,4-6,9H2,1-3H3,(H,22,23);2*3-4,6-9,21H,1-2,5H2,(H,17,20)(H3,16,18,19);4-5,7H,1-3,6H2;1H/t15-,16+,22?;;2*8-,9+;4-,5+;/m0.000./s1.

What are the key properties of 7-bromo-N-tert-butyl-2-[2-(oxan-2-yl)pyrazol-3-yl]thieno[3,2-b]pyridin-5-amine;cis-(1R,3S)-3-aminocyclopentan-1-ol;bis(cis-(1R,3S)-3-[[5-amino-2-(1H-pyrazol-5-yl)thieno[3,2-b]pyridin-7-yl]amino]cyclopentan-1-ol);cis-(1R,3S)-3-[[5-(tert-butylamino)-2-[2-(oxan-2-yl)pyrazol-3-yl]thieno[3,2-b]pyridin-7-yl]amino]cyclopentan-1-ol;hydrochloride?

7-bromo-N-tert-butyl-2-[2-(oxan-2-yl)pyrazol-3-yl]thieno[3,2-b]pyridin-5-amine;cis-(1R,3S)-3-aminocyclopentan-1-ol;bis(cis-(1R,3S)-3-[[5-amino-2-(1H-pyrazol-5-yl)thieno[3,2-b]pyridin-7-yl]amino]cyclopentan-1-ol);cis-(1R,3S)-3-[[5-(tert-butylamino)-2-[2-(oxan-2-yl)pyrazol-3-yl]thieno[3,2-b]pyridin-7-yl]amino]cyclopentan-1-ol;hydrochloride has a molecular weight of 1659.43 g/mol, XLogP of 16.69, 14 rotatable bonds, 14 hydrogen bond donors, and 28 hydrogen bond acceptors.

Where does this data come from?

All data for 7-bromo-N-tert-butyl-2-[2-(oxan-2-yl)pyrazol-3-yl]thieno[3,2-b]pyridin-5-amine;cis-(1R,3S)-3-aminocyclopentan-1-ol;bis(cis-(1R,3S)-3-[[5-amino-2-(1H-pyrazol-5-yl)thieno[3,2-b]pyridin-7-yl]amino]cyclopentan-1-ol);cis-(1R,3S)-3-[[5-(tert-butylamino)-2-[2-(oxan-2-yl)pyrazol-3-yl]thieno[3,2-b]pyridin-7-yl]amino]cyclopentan-1-ol;hydrochloride is sourced from PubChem (CID 163505435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).