7-bromo-N-tert-butyl-2-[2-(oxan-2-yl)pyrazol-3-yl]thieno[3,2-b]pyridin-5-amine;5-N-tert-butyl-7-N-(4,4-difluorocyclohexyl)-2-[2-(oxan-2-yl)pyrazol-3-yl]thieno[3,2-b]pyridine-5,7-diamine;4,4-difluorocyclohexan-1-amine;7-N-(4,4-difluorocyclohexyl)-2-(1H-pyrazol-5-yl)thieno[3,2-b]pyridine-5,7-diamine

C66H84BrF6N15O2S3 — CID 163579378

About 7-bromo-N-tert-butyl-2-[2-(oxan-2-yl)pyrazol-3-yl]thieno[3,2-b]pyridin-5-amine;5-N-tert-butyl-7-N-(4,4-difluorocyclohexyl)-2-[2-(oxan-2-yl)pyrazol-3-yl]thieno[3,2-b]pyridine-5,7-diamine;4,4-difluorocyclohexan-1-amine;7-N-(4,4-difluorocyclohexyl)-2-(1H-pyrazol-5-yl)thieno[3,2-b]pyridine-5,7-diamine

7-bromo-N-tert-butyl-2-[2-(oxan-2-yl)pyrazol-3-yl]thieno[3,2-b]pyridin-5-amine;5-N-tert-butyl-7-N-(4,4-difluorocyclohexyl)-2-[2-(oxan-2-yl)pyrazol-3-yl]thieno[3,2-b]pyridine-5,7-diamine;4,4-difluorocyclohexan-1-amine;7-N-(4,4-difluorocyclohexyl)-2-(1H-pyrazol-5-yl)thieno[3,2-b]pyridine-5,7-diamine (PubChem CID 163579378) has the molecular formula C66H84BrF6N15O2S3 and a molecular weight of 1409.59 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;5-N-tert-butyl-7-N-(4,4-difluorocyclohexyl)-2-[2-(oxan-2-yl)pyrazol-3-yl]thieno[3,2-b]pyridine-5,7-diamine;4,4-difluorocyclohexan-1-amine;7-N-(4,4-difluorocyclohexyl)-2-(1H-pyrazol-5-yl)thieno[3,2-b]pyridine-5,7-diamine.

Molecular Properties

• Compound Name: 7-bromo-N-tert-butyl-2-[2-(oxan-2-yl)pyrazol-3-yl]thieno[3,2-b]pyridin-5-amine;5-N-tert-butyl-7-N-(4,4-difluorocyclohexyl)-2-[2-(oxan-2-yl)pyrazol-3-yl]thieno[3,2-b]pyridine-5,7-diamine;4,4-difluorocyclohexan-1-amine;7-N-(4,4-difluorocyclohexyl)-2-(1H-pyrazol-5-yl)thieno[3,2-b]pyridine-5,7-diamine
• PubChem CID: 163579378
• Molecular Formula: C66H84BrF6N15O2S3
• Molecular Weight: 1409.59 g/mol
• Exact Mass: 1407.52
• IUPAC Name: 7-bromo-N-tert-butyl-2-[2-(oxan-2-yl)pyrazol-3-yl]thieno[3,2-b]pyridin-5-amine;5-N-tert-butyl-7-N-(4,4-difluorocyclohexyl)-2-[2-(oxan-2-yl)pyrazol-3-yl]thieno[3,2-b]pyridine-5,7-diamine;4,4-difluorocyclohexan-1-amine;7-N-(4,4-difluorocyclohexyl)-2-(1H-pyrazol-5-yl)thieno[3,2-b]pyridine-5,7-diamine
• SMILES: CC(C)(C)Nc1cc(Br)c2sc(-c3ccnn3C3CCCCO3)cc2n1.CC(C)(C)Nc1cc(NC2CCC(F)(F)CC2)c2sc(-c3ccnn3C3CCCCO3)cc2n1.NC1CCC(F)(F)CC1.Nc1cc(NC2CCC(F)(F)CC2)c2sc(-c3ccn[nH]3)cc2n1
• InChI: InChI=1S/C25H33F2N5OS.C19H23BrN4OS.C16H17F2N5S.C6H11F2N/c1-24(2,3)31-21-15-18(29-16-7-10-25(26,27)11-8-16)23-17(30-21)14-20(34-23)19-9-12-28-32(19)22-6-4-5-13-33-22;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;17-16(18)4-1-9(2-5-16)21-12-8-14(19)22-11-7-13(24-15(11)12)10-3-6-20-23-10;7-6(8)3-1-5(9)2-4-6/h9,12,14-16,22H,4-8,10-11,13H2,1-3H3,(H2,29,30,31);7-8,10-11,17H,4-6,9H2,1-3H3,(H,22,23);3,6-9H,1-2,4-5H2,(H,20,23)(H3,19,21,22);5H,1-4,9H2
• InChIKey: GGFGQFRZDVGGGV-UHFFFAOYSA-N
• XLogP: 18.67
• TPSA: 221.61 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 19
• Rotatable Bonds: 11
• Heavy Atoms: 93
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1409.59
LogP ≤ 5	18.67
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	19

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;5-N-tert-butyl-7-N-(4,4-difluorocyclohexyl)-2-[2-(oxan-2-yl)pyrazol-3-yl]thieno[3,2-b]pyridine-5,7-diamine;4,4-difluorocyclohexan-1-amine;7-N-(4,4-difluorocyclohexyl)-2-(1H-pyrazol-5-yl)thieno[3,2-b]pyridine-5,7-diamine?

The IUPAC name of 7-bromo-N-tert-butyl-2-[2-(oxan-2-yl)pyrazol-3-yl]thieno[3,2-b]pyridin-5-amine;5-N-tert-butyl-7-N-(4,4-difluorocyclohexyl)-2-[2-(oxan-2-yl)pyrazol-3-yl]thieno[3,2-b]pyridine-5,7-diamine;4,4-difluorocyclohexan-1-amine;7-N-(4,4-difluorocyclohexyl)-2-(1H-pyrazol-5-yl)thieno[3,2-b]pyridine-5,7-diamine (CID 163579378) is 7-bromo-N-tert-butyl-2-[2-(oxan-2-yl)pyrazol-3-yl]thieno[3,2-b]pyridin-5-amine;5-N-tert-butyl-7-N-(4,4-difluorocyclohexyl)-2-[2-(oxan-2-yl)pyrazol-3-yl]thieno[3,2-b]pyridine-5,7-diamine;4,4-difluorocyclohexan-1-amine;7-N-(4,4-difluorocyclohexyl)-2-(1H-pyrazol-5-yl)thieno[3,2-b]pyridine-5,7-diamine.

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;5-N-tert-butyl-7-N-(4,4-difluorocyclohexyl)-2-[2-(oxan-2-yl)pyrazol-3-yl]thieno[3,2-b]pyridine-5,7-diamine;4,4-difluorocyclohexan-1-amine;7-N-(4,4-difluorocyclohexyl)-2-(1H-pyrazol-5-yl)thieno[3,2-b]pyridine-5,7-diamine?

The canonical SMILES for 7-bromo-N-tert-butyl-2-[2-(oxan-2-yl)pyrazol-3-yl]thieno[3,2-b]pyridin-5-amine;5-N-tert-butyl-7-N-(4,4-difluorocyclohexyl)-2-[2-(oxan-2-yl)pyrazol-3-yl]thieno[3,2-b]pyridine-5,7-diamine;4,4-difluorocyclohexan-1-amine;7-N-(4,4-difluorocyclohexyl)-2-(1H-pyrazol-5-yl)thieno[3,2-b]pyridine-5,7-diamine is CC(C)(C)Nc1cc(Br)c2sc(-c3ccnn3C3CCCCO3)cc2n1.CC(C)(C)Nc1cc(NC2CCC(F)(F)CC2)c2sc(-c3ccnn3C3CCCCO3)cc2n1.NC1CCC(F)(F)CC1.Nc1cc(NC2CCC(F)(F)CC2)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;5-N-tert-butyl-7-N-(4,4-difluorocyclohexyl)-2-[2-(oxan-2-yl)pyrazol-3-yl]thieno[3,2-b]pyridine-5,7-diamine;4,4-difluorocyclohexan-1-amine;7-N-(4,4-difluorocyclohexyl)-2-(1H-pyrazol-5-yl)thieno[3,2-b]pyridine-5,7-diamine?

The InChIKey is GGFGQFRZDVGGGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H33F2N5OS.C19H23BrN4OS.C16H17F2N5S.C6H11F2N/c1-24(2,3)31-21-15-18(29-16-7-10-25(26,27)11-8-16)23-17(30-21)14-20(34-23)19-9-12-28-32(19)22-6-4-5-13-33-22;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;17-16(18)4-1-9(2-5-16)21-12-8-14(19)22-11-7-13(24-15(11)12)10-3-6-20-23-10;7-6(8)3-1-5(9)2-4-6/h9,12,14-16,22H,4-8,10-11,13H2,1-3H3,(H2,29,30,31);7-8,10-11,17H,4-6,9H2,1-3H3,(H,22,23);3,6-9H,1-2,4-5H2,(H,20,23)(H3,19,21,22);5H,1-4,9H2.

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;5-N-tert-butyl-7-N-(4,4-difluorocyclohexyl)-2-[2-(oxan-2-yl)pyrazol-3-yl]thieno[3,2-b]pyridine-5,7-diamine;4,4-difluorocyclohexan-1-amine;7-N-(4,4-difluorocyclohexyl)-2-(1H-pyrazol-5-yl)thieno[3,2-b]pyridine-5,7-diamine?

7-bromo-N-tert-butyl-2-[2-(oxan-2-yl)pyrazol-3-yl]thieno[3,2-b]pyridin-5-amine;5-N-tert-butyl-7-N-(4,4-difluorocyclohexyl)-2-[2-(oxan-2-yl)pyrazol-3-yl]thieno[3,2-b]pyridine-5,7-diamine;4,4-difluorocyclohexan-1-amine;7-N-(4,4-difluorocyclohexyl)-2-(1H-pyrazol-5-yl)thieno[3,2-b]pyridine-5,7-diamine has a molecular weight of 1409.59 g/mol, XLogP of 18.67, 11 rotatable bonds, 7 hydrogen bond donors, and 19 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;5-N-tert-butyl-7-N-(4,4-difluorocyclohexyl)-2-[2-(oxan-2-yl)pyrazol-3-yl]thieno[3,2-b]pyridine-5,7-diamine;4,4-difluorocyclohexan-1-amine;7-N-(4,4-difluorocyclohexyl)-2-(1H-pyrazol-5-yl)thieno[3,2-b]pyridine-5,7-diamine is sourced from PubChem (CID 163579378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).