N-[3-(1,1-difluoropropyl)-1-benzofuran-6-yl]-1H-pyrazolo[4,3-b]pyridin-3-amine;3-(5,5-dimethylhexan-2-yl)-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)-1,2-benzoxazol-6-amine;3-(3-fluorobutan-2-yl)-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)-1,2-benzoxazol-6-amine;3-heptan-2-yl-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)-1,2-benzoxazol-6-amine;methane;3-propyl-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)-1,2-benzoxazol-6-amine

C94H105F3N24O5 — CID 160797332

About N-[3-(1,1-difluoropropyl)-1-benzofuran-6-yl]-1H-pyrazolo[4,3-b]pyridin-3-amine;3-(5,5-dimethylhexan-2-yl)-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)-1,2-benzoxazol-6-amine;3-(3-fluorobutan-2-yl)-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)-1,2-benzoxazol-6-amine;3-heptan-2-yl-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)-1,2-benzoxazol-6-amine;methane;3-propyl-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)-1,2-benzoxazol-6-amine

N-[3-(1,1-difluoropropyl)-1-benzofuran-6-yl]-1H-pyrazolo[4,3-b]pyridin-3-amine;3-(5,5-dimethylhexan-2-yl)-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)-1,2-benzoxazol-6-amine;3-(3-fluorobutan-2-yl)-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)-1,2-benzoxazol-6-amine;3-heptan-2-yl-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)-1,2-benzoxazol-6-amine;methane;3-propyl-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)-1,2-benzoxazol-6-amine (PubChem CID 160797332) has the molecular formula C94H105F3N24O5 and a molecular weight of 1708.03 g/mol. Its IUPAC name is N-[3-(1,1-difluoropropyl)-1-benzofuran-6-yl]-1H-pyrazolo[4,3-b]pyridin-3-amine;3-(5,5-dimethylhexan-2-yl)-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)-1,2-benzoxazol-6-amine;3-(3-fluorobutan-2-yl)-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)-1,2-benzoxazol-6-amine;3-heptan-2-yl-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)-1,2-benzoxazol-6-amine;methane;3-propyl-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)-1,2-benzoxazol-6-amine.

Molecular Properties

• Compound Name: N-[3-(1,1-difluoropropyl)-1-benzofuran-6-yl]-1H-pyrazolo[4,3-b]pyridin-3-amine;3-(5,5-dimethylhexan-2-yl)-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)-1,2-benzoxazol-6-amine;3-(3-fluorobutan-2-yl)-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)-1,2-benzoxazol-6-amine;3-heptan-2-yl-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)-1,2-benzoxazol-6-amine;methane;3-propyl-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)-1,2-benzoxazol-6-amine
• PubChem CID: 160797332
• Molecular Formula: C94H105F3N24O5
• Molecular Weight: 1708.03 g/mol
• Exact Mass: 1706.87
• IUPAC Name: N-[3-(1,1-difluoropropyl)-1-benzofuran-6-yl]-1H-pyrazolo[4,3-b]pyridin-3-amine;3-(5,5-dimethylhexan-2-yl)-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)-1,2-benzoxazol-6-amine;3-(3-fluorobutan-2-yl)-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)-1,2-benzoxazol-6-amine;3-heptan-2-yl-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)-1,2-benzoxazol-6-amine;methane;3-propyl-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)-1,2-benzoxazol-6-amine
• SMILES: C.C.C.CC(CCC(C)(C)C)c1noc2cc(Nc3n[nH]c4cccnc34)ccc12.CC(F)C(C)c1noc2cc(Nc3n[nH]c4cccnc34)ccc12.CCC(F)(F)c1coc2cc(Nc3n[nH]c4cccnc34)ccc12.CCCCCC(C)c1noc2cc(Nc3n[nH]c4cccnc34)ccc12.CCCc1noc2cc(Nc3n[nH]c4cccnc34)ccc12
• InChI: InChI=1S/C21H25N5O.C20H23N5O.C17H14F2N4O.C17H16FN5O.C16H15N5O.3CH4/c1-13(9-10-21(2,3)4)18-15-8-7-14(12-17(15)27-26-18)23-20-19-16(24-25-20)6-5-11-22-19;1-3-4-5-7-13(2)18-15-10-9-14(12-17(15)26-25-18)22-20-19-16(23-24-20)8-6-11-21-19;1-2-17(18,19)12-9-24-14-8-10(5-6-11(12)14)21-16-15-13(22-23-16)4-3-7-20-15;1-9(10(2)18)15-12-6-5-11(8-14(12)24-23-15)20-17-16-13(21-22-17)4-3-7-19-16;1-2-4-12-11-7-6-10(9-14(11)22-21-12)18-16-15-13(19-20-16)5-3-8-17-15;;;/h5-8,11-13H,9-10H2,1-4H3,(H2,23,24,25);6,8-13H,3-5,7H2,1-2H3,(H2,22,23,24);3-9H,2H2,1H3,(H2,21,22,23);3-10H,1-2H3,(H2,20,21,22);3,5-9H,2,4H2,1H3,(H2,18,19,20);3*1H4
• InChIKey: SCPMHCAGISWHKR-UHFFFAOYSA-N
• XLogP: 26.26
• TPSA: 385.26 Ų
• H-Bond Donors: 10
• H-Bond Acceptors: 24
• Rotatable Bonds: 24
• Heavy Atoms: 126
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1708.03
LogP ≤ 5	26.26
H-Bond Donors ≤ 5	10
H-Bond Acceptors ≤ 10	24

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-[3-(1,1-difluoropropyl)-1-benzofuran-6-yl]-1H-pyrazolo[4,3-b]pyridin-3-amine;3-(5,5-dimethylhexan-2-yl)-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)-1,2-benzoxazol-6-amine;3-(3-fluorobutan-2-yl)-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)-1,2-benzoxazol-6-amine;3-heptan-2-yl-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)-1,2-benzoxazol-6-amine;methane;3-propyl-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)-1,2-benzoxazol-6-amine?

The IUPAC name of N-[3-(1,1-difluoropropyl)-1-benzofuran-6-yl]-1H-pyrazolo[4,3-b]pyridin-3-amine;3-(5,5-dimethylhexan-2-yl)-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)-1,2-benzoxazol-6-amine;3-(3-fluorobutan-2-yl)-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)-1,2-benzoxazol-6-amine;3-heptan-2-yl-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)-1,2-benzoxazol-6-amine;methane;3-propyl-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)-1,2-benzoxazol-6-amine (CID 160797332) is N-[3-(1,1-difluoropropyl)-1-benzofuran-6-yl]-1H-pyrazolo[4,3-b]pyridin-3-amine;3-(5,5-dimethylhexan-2-yl)-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)-1,2-benzoxazol-6-amine;3-(3-fluorobutan-2-yl)-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)-1,2-benzoxazol-6-amine;3-heptan-2-yl-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)-1,2-benzoxazol-6-amine;methane;3-propyl-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)-1,2-benzoxazol-6-amine.

What is the SMILES notation for N-[3-(1,1-difluoropropyl)-1-benzofuran-6-yl]-1H-pyrazolo[4,3-b]pyridin-3-amine;3-(5,5-dimethylhexan-2-yl)-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)-1,2-benzoxazol-6-amine;3-(3-fluorobutan-2-yl)-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)-1,2-benzoxazol-6-amine;3-heptan-2-yl-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)-1,2-benzoxazol-6-amine;methane;3-propyl-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)-1,2-benzoxazol-6-amine?

The canonical SMILES for N-[3-(1,1-difluoropropyl)-1-benzofuran-6-yl]-1H-pyrazolo[4,3-b]pyridin-3-amine;3-(5,5-dimethylhexan-2-yl)-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)-1,2-benzoxazol-6-amine;3-(3-fluorobutan-2-yl)-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)-1,2-benzoxazol-6-amine;3-heptan-2-yl-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)-1,2-benzoxazol-6-amine;methane;3-propyl-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)-1,2-benzoxazol-6-amine is C.C.C.CC(CCC(C)(C)C)c1noc2cc(Nc3n[nH]c4cccnc34)ccc12.CC(F)C(C)c1noc2cc(Nc3n[nH]c4cccnc34)ccc12.CCC(F)(F)c1coc2cc(Nc3n[nH]c4cccnc34)ccc12.CCCCCC(C)c1noc2cc(Nc3n[nH]c4cccnc34)ccc12.CCCc1noc2cc(Nc3n[nH]c4cccnc34)ccc12.

What is the InChIKey of N-[3-(1,1-difluoropropyl)-1-benzofuran-6-yl]-1H-pyrazolo[4,3-b]pyridin-3-amine;3-(5,5-dimethylhexan-2-yl)-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)-1,2-benzoxazol-6-amine;3-(3-fluorobutan-2-yl)-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)-1,2-benzoxazol-6-amine;3-heptan-2-yl-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)-1,2-benzoxazol-6-amine;methane;3-propyl-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)-1,2-benzoxazol-6-amine?

The InChIKey is SCPMHCAGISWHKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N5O.C20H23N5O.C17H14F2N4O.C17H16FN5O.C16H15N5O.3CH4/c1-13(9-10-21(2,3)4)18-15-8-7-14(12-17(15)27-26-18)23-20-19-16(24-25-20)6-5-11-22-19;1-3-4-5-7-13(2)18-15-10-9-14(12-17(15)26-25-18)22-20-19-16(23-24-20)8-6-11-21-19;1-2-17(18,19)12-9-24-14-8-10(5-6-11(12)14)21-16-15-13(22-23-16)4-3-7-20-15;1-9(10(2)18)15-12-6-5-11(8-14(12)24-23-15)20-17-16-13(21-22-17)4-3-7-19-16;1-2-4-12-11-7-6-10(9-14(11)22-21-12)18-16-15-13(19-20-16)5-3-8-17-15;;;/h5-8,11-13H,9-10H2,1-4H3,(H2,23,24,25);6,8-13H,3-5,7H2,1-2H3,(H2,22,23,24);3-9H,2H2,1H3,(H2,21,22,23);3-10H,1-2H3,(H2,20,21,22);3,5-9H,2,4H2,1H3,(H2,18,19,20);3*1H4.

What are the key properties of N-[3-(1,1-difluoropropyl)-1-benzofuran-6-yl]-1H-pyrazolo[4,3-b]pyridin-3-amine;3-(5,5-dimethylhexan-2-yl)-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)-1,2-benzoxazol-6-amine;3-(3-fluorobutan-2-yl)-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)-1,2-benzoxazol-6-amine;3-heptan-2-yl-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)-1,2-benzoxazol-6-amine;methane;3-propyl-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)-1,2-benzoxazol-6-amine?

N-[3-(1,1-difluoropropyl)-1-benzofuran-6-yl]-1H-pyrazolo[4,3-b]pyridin-3-amine;3-(5,5-dimethylhexan-2-yl)-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)-1,2-benzoxazol-6-amine;3-(3-fluorobutan-2-yl)-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)-1,2-benzoxazol-6-amine;3-heptan-2-yl-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)-1,2-benzoxazol-6-amine;methane;3-propyl-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)-1,2-benzoxazol-6-amine has a molecular weight of 1708.03 g/mol, XLogP of 26.26, 24 rotatable bonds, 10 hydrogen bond donors, and 24 hydrogen bond acceptors.

Where does this data come from?

All data for N-[3-(1,1-difluoropropyl)-1-benzofuran-6-yl]-1H-pyrazolo[4,3-b]pyridin-3-amine;3-(5,5-dimethylhexan-2-yl)-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)-1,2-benzoxazol-6-amine;3-(3-fluorobutan-2-yl)-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)-1,2-benzoxazol-6-amine;3-heptan-2-yl-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)-1,2-benzoxazol-6-amine;methane;3-propyl-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)-1,2-benzoxazol-6-amine is sourced from PubChem (CID 160797332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).