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

C63H84BrN15O5S3 — CID 163525682

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

7-bromo-N-tert-butyl-2-[2-(oxan-2-yl)pyrazol-3-yl]thieno[3,2-b]pyridin-5-amine;cis-(1S,2R)-2-aminocyclopentan-1-ol;cis-(1S,2R)-2-[[5-amino-2-(1H-pyrazol-5-yl)thieno[3,2-b]pyridin-7-yl]amino]cyclopentan-1-ol;cis-(1S,2R)-2-[[5-(tert-butylamino)-2-[2-(oxan-2-yl)pyrazol-3-yl]thieno[3,2-b]pyridin-7-yl]amino]cyclopentan-1-ol (PubChem CID 163525682) has the molecular formula C63H84BrN15O5S3 and a molecular weight of 1307.57 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-(1S,2R)-2-aminocyclopentan-1-ol;cis-(1S,2R)-2-[[5-amino-2-(1H-pyrazol-5-yl)thieno[3,2-b]pyridin-7-yl]amino]cyclopentan-1-ol;cis-(1S,2R)-2-[[5-(tert-butylamino)-2-[2-(oxan-2-yl)pyrazol-3-yl]thieno[3,2-b]pyridin-7-yl]amino]cyclopentan-1-ol.

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-(1S,2R)-2-aminocyclopentan-1-ol;cis-(1S,2R)-2-[[5-amino-2-(1H-pyrazol-5-yl)thieno[3,2-b]pyridin-7-yl]amino]cyclopentan-1-ol;cis-(1S,2R)-2-[[5-(tert-butylamino)-2-[2-(oxan-2-yl)pyrazol-3-yl]thieno[3,2-b]pyridin-7-yl]amino]cyclopentan-1-ol
• PubChem CID: 163525682
• Molecular Formula: C63H84BrN15O5S3
• Molecular Weight: 1307.57 g/mol
• Exact Mass: 1305.51
• IUPAC Name: 7-bromo-N-tert-butyl-2-[2-(oxan-2-yl)pyrazol-3-yl]thieno[3,2-b]pyridin-5-amine;cis-(1S,2R)-2-aminocyclopentan-1-ol;cis-(1S,2R)-2-[[5-amino-2-(1H-pyrazol-5-yl)thieno[3,2-b]pyridin-7-yl]amino]cyclopentan-1-ol;cis-(1S,2R)-2-[[5-(tert-butylamino)-2-[2-(oxan-2-yl)pyrazol-3-yl]thieno[3,2-b]pyridin-7-yl]amino]cyclopentan-1-ol
• SMILES: CC(C)(C)Nc1cc(Br)c2sc(-c3ccnn3C3CCCCO3)cc2n1.CC(C)(C)Nc1cc(N[C@@H]2CCC[C@@H]2O)c2sc(-c3ccnn3C3CCCCO3)cc2n1.N[C@@H]1CCC[C@@H]1O.Nc1cc(N[C@@H]2CCC[C@@H]2O)c2sc(-c3ccn[nH]3)cc2n1
• InChI: InChI=1S/C24H33N5O2S.C19H23BrN4OS.C15H17N5OS.C5H11NO/c1-24(2,3)28-21-14-17(26-15-7-6-8-19(15)30)23-16(27-21)13-20(32-23)18-10-11-25-29(18)22-9-4-5-12-31-22;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;16-14-7-11(18-8-2-1-3-12(8)21)15-10(19-14)6-13(22-15)9-4-5-17-20-9;6-4-2-1-3-5(4)7/h10-11,13-15,19,22,30H,4-9,12H2,1-3H3,(H2,26,27,28);7-8,10-11,17H,4-6,9H2,1-3H3,(H,22,23);4-8,12,21H,1-3H2,(H,17,20)(H3,16,18,19);4-5,7H,1-3,6H2/t15-,19+,22?;;8-,12+;4-,5+/m1.11/s1
• InChIKey: DONYPZFSGHXQPY-QESXNLFKSA-N
• XLogP: 13.68
• TPSA: 282.30 Ų
• H-Bond Donors: 10
• H-Bond Acceptors: 22
• Rotatable Bonds: 11
• Heavy Atoms: 87
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1307.57
LogP ≤ 5	13.68
H-Bond Donors ≤ 5	10
H-Bond Acceptors ≤ 10	22

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

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-(1S,2R)-2-aminocyclopentan-1-ol;cis-(1S,2R)-2-[[5-amino-2-(1H-pyrazol-5-yl)thieno[3,2-b]pyridin-7-yl]amino]cyclopentan-1-ol;cis-(1S,2R)-2-[[5-(tert-butylamino)-2-[2-(oxan-2-yl)pyrazol-3-yl]thieno[3,2-b]pyridin-7-yl]amino]cyclopentan-1-ol (CID 163525682) is 7-bromo-N-tert-butyl-2-[2-(oxan-2-yl)pyrazol-3-yl]thieno[3,2-b]pyridin-5-amine;cis-(1S,2R)-2-aminocyclopentan-1-ol;cis-(1S,2R)-2-[[5-amino-2-(1H-pyrazol-5-yl)thieno[3,2-b]pyridin-7-yl]amino]cyclopentan-1-ol;cis-(1S,2R)-2-[[5-(tert-butylamino)-2-[2-(oxan-2-yl)pyrazol-3-yl]thieno[3,2-b]pyridin-7-yl]amino]cyclopentan-1-ol.

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

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-(1S,2R)-2-aminocyclopentan-1-ol;cis-(1S,2R)-2-[[5-amino-2-(1H-pyrazol-5-yl)thieno[3,2-b]pyridin-7-yl]amino]cyclopentan-1-ol;cis-(1S,2R)-2-[[5-(tert-butylamino)-2-[2-(oxan-2-yl)pyrazol-3-yl]thieno[3,2-b]pyridin-7-yl]amino]cyclopentan-1-ol is CC(C)(C)Nc1cc(Br)c2sc(-c3ccnn3C3CCCCO3)cc2n1.CC(C)(C)Nc1cc(N[C@@H]2CCC[C@@H]2O)c2sc(-c3ccnn3C3CCCCO3)cc2n1.N[C@@H]1CCC[C@@H]1O.Nc1cc(N[C@@H]2CCC[C@@H]2O)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-(1S,2R)-2-aminocyclopentan-1-ol;cis-(1S,2R)-2-[[5-amino-2-(1H-pyrazol-5-yl)thieno[3,2-b]pyridin-7-yl]amino]cyclopentan-1-ol;cis-(1S,2R)-2-[[5-(tert-butylamino)-2-[2-(oxan-2-yl)pyrazol-3-yl]thieno[3,2-b]pyridin-7-yl]amino]cyclopentan-1-ol?

The InChIKey is DONYPZFSGHXQPY-QESXNLFKSA-N. The full InChI is InChI=1S/C24H33N5O2S.C19H23BrN4OS.C15H17N5OS.C5H11NO/c1-24(2,3)28-21-14-17(26-15-7-6-8-19(15)30)23-16(27-21)13-20(32-23)18-10-11-25-29(18)22-9-4-5-12-31-22;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;16-14-7-11(18-8-2-1-3-12(8)21)15-10(19-14)6-13(22-15)9-4-5-17-20-9;6-4-2-1-3-5(4)7/h10-11,13-15,19,22,30H,4-9,12H2,1-3H3,(H2,26,27,28);7-8,10-11,17H,4-6,9H2,1-3H3,(H,22,23);4-8,12,21H,1-3H2,(H,17,20)(H3,16,18,19);4-5,7H,1-3,6H2/t15-,19+,22?;;8-,12+;4-,5+/m1.11/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-(1S,2R)-2-aminocyclopentan-1-ol;cis-(1S,2R)-2-[[5-amino-2-(1H-pyrazol-5-yl)thieno[3,2-b]pyridin-7-yl]amino]cyclopentan-1-ol;cis-(1S,2R)-2-[[5-(tert-butylamino)-2-[2-(oxan-2-yl)pyrazol-3-yl]thieno[3,2-b]pyridin-7-yl]amino]cyclopentan-1-ol?

7-bromo-N-tert-butyl-2-[2-(oxan-2-yl)pyrazol-3-yl]thieno[3,2-b]pyridin-5-amine;cis-(1S,2R)-2-aminocyclopentan-1-ol;cis-(1S,2R)-2-[[5-amino-2-(1H-pyrazol-5-yl)thieno[3,2-b]pyridin-7-yl]amino]cyclopentan-1-ol;cis-(1S,2R)-2-[[5-(tert-butylamino)-2-[2-(oxan-2-yl)pyrazol-3-yl]thieno[3,2-b]pyridin-7-yl]amino]cyclopentan-1-ol has a molecular weight of 1307.57 g/mol, XLogP of 13.68, 11 rotatable bonds, 10 hydrogen bond donors, and 22 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-(1S,2R)-2-aminocyclopentan-1-ol;cis-(1S,2R)-2-[[5-amino-2-(1H-pyrazol-5-yl)thieno[3,2-b]pyridin-7-yl]amino]cyclopentan-1-ol;cis-(1S,2R)-2-[[5-(tert-butylamino)-2-[2-(oxan-2-yl)pyrazol-3-yl]thieno[3,2-b]pyridin-7-yl]amino]cyclopentan-1-ol is sourced from PubChem (CID 163525682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).