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

C75H78F3N19O4 — CID 158429192

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

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 (PubChem CID 158429192) has the molecular formula C75H78F3N19O4 and a molecular weight of 1366.57 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.

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
• PubChem CID: 158429192
• Molecular Formula: C75H78F3N19O4
• Molecular Weight: 1366.57 g/mol
• Exact Mass: 1365.64
• 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
• SMILES: 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
• InChI: InChI=1S/C21H25N5O.C20H23N5O.C17H14F2N4O.C17H16FN5O/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/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)
• InChIKey: HBLFJMOBJDUHHV-UHFFFAOYSA-N
• XLogP: 20.55
• TPSA: 305.63 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 19
• Rotatable Bonds: 20
• Heavy Atoms: 101
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1366.57
LogP ≤ 5	20.55
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	19

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?

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 (CID 158429192) 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.

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?

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 is 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.

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?

The InChIKey is HBLFJMOBJDUHHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N5O.C20H23N5O.C17H14F2N4O.C17H16FN5O/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/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).

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?

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 has a molecular weight of 1366.57 g/mol, XLogP of 20.55, 20 rotatable bonds, 8 hydrogen bond donors, and 19 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 is sourced from PubChem (CID 158429192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).