4-benzyl-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)-2,3-dihydro-1,4-benzoxazin-7-amine;4-(3,3-dimethylbutyl)-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)-2,3-dihydro-1,4-benzoxazin-7-amine;4-(3,3-dimethylbutyl)-N-(2H-pyrazolo[3,4-b]pyridin-3-yl)-2,3-dihydro-1,4-benzoxazin-7-amine;2-(3-fluoro-3-methylcyclobutyl)-1-[7-(1H-pyrazolo[4,3-b]pyridin-3-ylamino)-2,3-dihydro-1,4-benzoxazin-4-yl]ethanone;4-phenyl-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)-2,3-dihydro-1,4-benzoxazin-7-amine;4-phenyl-N-(2H-pyrazolo[3,4-b]pyridin-3-yl)-2,3-dihydro-1,4-benzoxazin-7-amine

C122H125FN30O7 — CID 157222102

About 4-benzyl-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)-2,3-dihydro-1,4-benzoxazin-7-amine;4-(3,3-dimethylbutyl)-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)-2,3-dihydro-1,4-benzoxazin-7-amine;4-(3,3-dimethylbutyl)-N-(2H-pyrazolo[3,4-b]pyridin-3-yl)-2,3-dihydro-1,4-benzoxazin-7-amine;2-(3-fluoro-3-methylcyclobutyl)-1-[7-(1H-pyrazolo[4,3-b]pyridin-3-ylamino)-2,3-dihydro-1,4-benzoxazin-4-yl]ethanone;4-phenyl-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)-2,3-dihydro-1,4-benzoxazin-7-amine;4-phenyl-N-(2H-pyrazolo[3,4-b]pyridin-3-yl)-2,3-dihydro-1,4-benzoxazin-7-amine

4-benzyl-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)-2,3-dihydro-1,4-benzoxazin-7-amine;4-(3,3-dimethylbutyl)-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)-2,3-dihydro-1,4-benzoxazin-7-amine;4-(3,3-dimethylbutyl)-N-(2H-pyrazolo[3,4-b]pyridin-3-yl)-2,3-dihydro-1,4-benzoxazin-7-amine;2-(3-fluoro-3-methylcyclobutyl)-1-[7-(1H-pyrazolo[4,3-b]pyridin-3-ylamino)-2,3-dihydro-1,4-benzoxazin-4-yl]ethanone;4-phenyl-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)-2,3-dihydro-1,4-benzoxazin-7-amine;4-phenyl-N-(2H-pyrazolo[3,4-b]pyridin-3-yl)-2,3-dihydro-1,4-benzoxazin-7-amine (PubChem CID 157222102) has the molecular formula C122H125FN30O7 and a molecular weight of 2142.54 g/mol. Its IUPAC name is 4-benzyl-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)-2,3-dihydro-1,4-benzoxazin-7-amine;4-(3,3-dimethylbutyl)-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)-2,3-dihydro-1,4-benzoxazin-7-amine;4-(3,3-dimethylbutyl)-N-(2H-pyrazolo[3,4-b]pyridin-3-yl)-2,3-dihydro-1,4-benzoxazin-7-amine;2-(3-fluoro-3-methylcyclobutyl)-1-[7-(1H-pyrazolo[4,3-b]pyridin-3-ylamino)-2,3-dihydro-1,4-benzoxazin-4-yl]ethanone;4-phenyl-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)-2,3-dihydro-1,4-benzoxazin-7-amine;4-phenyl-N-(2H-pyrazolo[3,4-b]pyridin-3-yl)-2,3-dihydro-1,4-benzoxazin-7-amine.

Molecular Properties

• Compound Name: 4-benzyl-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)-2,3-dihydro-1,4-benzoxazin-7-amine;4-(3,3-dimethylbutyl)-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)-2,3-dihydro-1,4-benzoxazin-7-amine;4-(3,3-dimethylbutyl)-N-(2H-pyrazolo[3,4-b]pyridin-3-yl)-2,3-dihydro-1,4-benzoxazin-7-amine;2-(3-fluoro-3-methylcyclobutyl)-1-[7-(1H-pyrazolo[4,3-b]pyridin-3-ylamino)-2,3-dihydro-1,4-benzoxazin-4-yl]ethanone;4-phenyl-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)-2,3-dihydro-1,4-benzoxazin-7-amine;4-phenyl-N-(2H-pyrazolo[3,4-b]pyridin-3-yl)-2,3-dihydro-1,4-benzoxazin-7-amine
• PubChem CID: 157222102
• Molecular Formula: C122H125FN30O7
• Molecular Weight: 2142.54 g/mol
• Exact Mass: 2141.03
• IUPAC Name: 4-benzyl-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)-2,3-dihydro-1,4-benzoxazin-7-amine;4-(3,3-dimethylbutyl)-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)-2,3-dihydro-1,4-benzoxazin-7-amine;4-(3,3-dimethylbutyl)-N-(2H-pyrazolo[3,4-b]pyridin-3-yl)-2,3-dihydro-1,4-benzoxazin-7-amine;2-(3-fluoro-3-methylcyclobutyl)-1-[7-(1H-pyrazolo[4,3-b]pyridin-3-ylamino)-2,3-dihydro-1,4-benzoxazin-4-yl]ethanone;4-phenyl-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)-2,3-dihydro-1,4-benzoxazin-7-amine;4-phenyl-N-(2H-pyrazolo[3,4-b]pyridin-3-yl)-2,3-dihydro-1,4-benzoxazin-7-amine
• SMILES: CC(C)(C)CCN1CCOc2cc(Nc3[nH]nc4ncccc34)ccc21.CC(C)(C)CCN1CCOc2cc(Nc3n[nH]c4cccnc34)ccc21.CC1(F)CC(CC(=O)N2CCOc3cc(Nc4n[nH]c5cccnc45)ccc32)C1.c1ccc(CN2CCOc3cc(Nc4n[nH]c5cccnc45)ccc32)cc1.c1ccc(N2CCOc3cc(Nc4[nH]nc5ncccc45)ccc32)cc1.c1ccc(N2CCOc3cc(Nc4n[nH]c5cccnc45)ccc32)cc1
• InChI: InChI=1S/C21H22FN5O2.C21H19N5O.2C20H17N5O.2C20H25N5O/c1-21(22)11-13(12-21)9-18(28)27-7-8-29-17-10-14(4-5-16(17)27)24-20-19-15(25-26-20)3-2-6-23-19;1-2-5-15(6-3-1)14-26-11-12-27-19-13-16(8-9-18(19)26)23-21-20-17(24-25-21)7-4-10-22-20;1-2-5-15(6-3-1)25-11-12-26-18-13-14(8-9-17(18)25)22-20-19-16(23-24-20)7-4-10-21-19;1-2-5-15(6-3-1)25-11-12-26-18-13-14(8-9-17(18)25)22-20-16-7-4-10-21-19(16)23-24-20;1-20(2,3)8-10-25-11-12-26-17-13-14(6-7-16(17)25)22-19-18-15(23-24-19)5-4-9-21-18;1-20(2,3)8-10-25-11-12-26-17-13-14(6-7-16(17)25)22-19-15-5-4-9-21-18(15)23-24-19/h2-6,10,13H,7-9,11-12H2,1H3,(H2,24,25,26);1-10,13H,11-12,14H2,(H2,23,24,25);1-10,13H,11-12H2,(H2,22,23,24);1-10,13H,11-12H2,(H2,21,22,23,24);4-7,9,13H,8,10-12H2,1-3H3,(H2,22,23,24);4-7,9,13H,8,10-12H2,1-3H3,(H2,21,22,23,24)
• InChIKey: ATCOXCYAOVWKEX-UHFFFAOYSA-N
• XLogP: 25.19
• TPSA: 413.49 Ų
• H-Bond Donors: 12
• H-Bond Acceptors: 30
• Rotatable Bonds: 22
• Heavy Atoms: 160
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2142.54
LogP ≤ 5	25.19
H-Bond Donors ≤ 5	12
H-Bond Acceptors ≤ 10	30

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 4-benzyl-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)-2,3-dihydro-1,4-benzoxazin-7-amine;4-(3,3-dimethylbutyl)-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)-2,3-dihydro-1,4-benzoxazin-7-amine;4-(3,3-dimethylbutyl)-N-(2H-pyrazolo[3,4-b]pyridin-3-yl)-2,3-dihydro-1,4-benzoxazin-7-amine;2-(3-fluoro-3-methylcyclobutyl)-1-[7-(1H-pyrazolo[4,3-b]pyridin-3-ylamino)-2,3-dihydro-1,4-benzoxazin-4-yl]ethanone;4-phenyl-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)-2,3-dihydro-1,4-benzoxazin-7-amine;4-phenyl-N-(2H-pyrazolo[3,4-b]pyridin-3-yl)-2,3-dihydro-1,4-benzoxazin-7-amine?

The IUPAC name of 4-benzyl-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)-2,3-dihydro-1,4-benzoxazin-7-amine;4-(3,3-dimethylbutyl)-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)-2,3-dihydro-1,4-benzoxazin-7-amine;4-(3,3-dimethylbutyl)-N-(2H-pyrazolo[3,4-b]pyridin-3-yl)-2,3-dihydro-1,4-benzoxazin-7-amine;2-(3-fluoro-3-methylcyclobutyl)-1-[7-(1H-pyrazolo[4,3-b]pyridin-3-ylamino)-2,3-dihydro-1,4-benzoxazin-4-yl]ethanone;4-phenyl-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)-2,3-dihydro-1,4-benzoxazin-7-amine;4-phenyl-N-(2H-pyrazolo[3,4-b]pyridin-3-yl)-2,3-dihydro-1,4-benzoxazin-7-amine (CID 157222102) is 4-benzyl-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)-2,3-dihydro-1,4-benzoxazin-7-amine;4-(3,3-dimethylbutyl)-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)-2,3-dihydro-1,4-benzoxazin-7-amine;4-(3,3-dimethylbutyl)-N-(2H-pyrazolo[3,4-b]pyridin-3-yl)-2,3-dihydro-1,4-benzoxazin-7-amine;2-(3-fluoro-3-methylcyclobutyl)-1-[7-(1H-pyrazolo[4,3-b]pyridin-3-ylamino)-2,3-dihydro-1,4-benzoxazin-4-yl]ethanone;4-phenyl-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)-2,3-dihydro-1,4-benzoxazin-7-amine;4-phenyl-N-(2H-pyrazolo[3,4-b]pyridin-3-yl)-2,3-dihydro-1,4-benzoxazin-7-amine.

What is the SMILES notation for 4-benzyl-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)-2,3-dihydro-1,4-benzoxazin-7-amine;4-(3,3-dimethylbutyl)-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)-2,3-dihydro-1,4-benzoxazin-7-amine;4-(3,3-dimethylbutyl)-N-(2H-pyrazolo[3,4-b]pyridin-3-yl)-2,3-dihydro-1,4-benzoxazin-7-amine;2-(3-fluoro-3-methylcyclobutyl)-1-[7-(1H-pyrazolo[4,3-b]pyridin-3-ylamino)-2,3-dihydro-1,4-benzoxazin-4-yl]ethanone;4-phenyl-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)-2,3-dihydro-1,4-benzoxazin-7-amine;4-phenyl-N-(2H-pyrazolo[3,4-b]pyridin-3-yl)-2,3-dihydro-1,4-benzoxazin-7-amine?

The canonical SMILES for 4-benzyl-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)-2,3-dihydro-1,4-benzoxazin-7-amine;4-(3,3-dimethylbutyl)-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)-2,3-dihydro-1,4-benzoxazin-7-amine;4-(3,3-dimethylbutyl)-N-(2H-pyrazolo[3,4-b]pyridin-3-yl)-2,3-dihydro-1,4-benzoxazin-7-amine;2-(3-fluoro-3-methylcyclobutyl)-1-[7-(1H-pyrazolo[4,3-b]pyridin-3-ylamino)-2,3-dihydro-1,4-benzoxazin-4-yl]ethanone;4-phenyl-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)-2,3-dihydro-1,4-benzoxazin-7-amine;4-phenyl-N-(2H-pyrazolo[3,4-b]pyridin-3-yl)-2,3-dihydro-1,4-benzoxazin-7-amine is CC(C)(C)CCN1CCOc2cc(Nc3[nH]nc4ncccc34)ccc21.CC(C)(C)CCN1CCOc2cc(Nc3n[nH]c4cccnc34)ccc21.CC1(F)CC(CC(=O)N2CCOc3cc(Nc4n[nH]c5cccnc45)ccc32)C1.c1ccc(CN2CCOc3cc(Nc4n[nH]c5cccnc45)ccc32)cc1.c1ccc(N2CCOc3cc(Nc4[nH]nc5ncccc45)ccc32)cc1.c1ccc(N2CCOc3cc(Nc4n[nH]c5cccnc45)ccc32)cc1.

What is the InChIKey of 4-benzyl-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)-2,3-dihydro-1,4-benzoxazin-7-amine;4-(3,3-dimethylbutyl)-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)-2,3-dihydro-1,4-benzoxazin-7-amine;4-(3,3-dimethylbutyl)-N-(2H-pyrazolo[3,4-b]pyridin-3-yl)-2,3-dihydro-1,4-benzoxazin-7-amine;2-(3-fluoro-3-methylcyclobutyl)-1-[7-(1H-pyrazolo[4,3-b]pyridin-3-ylamino)-2,3-dihydro-1,4-benzoxazin-4-yl]ethanone;4-phenyl-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)-2,3-dihydro-1,4-benzoxazin-7-amine;4-phenyl-N-(2H-pyrazolo[3,4-b]pyridin-3-yl)-2,3-dihydro-1,4-benzoxazin-7-amine?

The InChIKey is ATCOXCYAOVWKEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22FN5O2.C21H19N5O.2C20H17N5O.2C20H25N5O/c1-21(22)11-13(12-21)9-18(28)27-7-8-29-17-10-14(4-5-16(17)27)24-20-19-15(25-26-20)3-2-6-23-19;1-2-5-15(6-3-1)14-26-11-12-27-19-13-16(8-9-18(19)26)23-21-20-17(24-25-21)7-4-10-22-20;1-2-5-15(6-3-1)25-11-12-26-18-13-14(8-9-17(18)25)22-20-19-16(23-24-20)7-4-10-21-19;1-2-5-15(6-3-1)25-11-12-26-18-13-14(8-9-17(18)25)22-20-16-7-4-10-21-19(16)23-24-20;1-20(2,3)8-10-25-11-12-26-17-13-14(6-7-16(17)25)22-19-18-15(23-24-19)5-4-9-21-18;1-20(2,3)8-10-25-11-12-26-17-13-14(6-7-16(17)25)22-19-15-5-4-9-21-18(15)23-24-19/h2-6,10,13H,7-9,11-12H2,1H3,(H2,24,25,26);1-10,13H,11-12,14H2,(H2,23,24,25);1-10,13H,11-12H2,(H2,22,23,24);1-10,13H,11-12H2,(H2,21,22,23,24);4-7,9,13H,8,10-12H2,1-3H3,(H2,22,23,24);4-7,9,13H,8,10-12H2,1-3H3,(H2,21,22,23,24).

What are the key properties of 4-benzyl-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)-2,3-dihydro-1,4-benzoxazin-7-amine;4-(3,3-dimethylbutyl)-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)-2,3-dihydro-1,4-benzoxazin-7-amine;4-(3,3-dimethylbutyl)-N-(2H-pyrazolo[3,4-b]pyridin-3-yl)-2,3-dihydro-1,4-benzoxazin-7-amine;2-(3-fluoro-3-methylcyclobutyl)-1-[7-(1H-pyrazolo[4,3-b]pyridin-3-ylamino)-2,3-dihydro-1,4-benzoxazin-4-yl]ethanone;4-phenyl-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)-2,3-dihydro-1,4-benzoxazin-7-amine;4-phenyl-N-(2H-pyrazolo[3,4-b]pyridin-3-yl)-2,3-dihydro-1,4-benzoxazin-7-amine?

4-benzyl-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)-2,3-dihydro-1,4-benzoxazin-7-amine;4-(3,3-dimethylbutyl)-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)-2,3-dihydro-1,4-benzoxazin-7-amine;4-(3,3-dimethylbutyl)-N-(2H-pyrazolo[3,4-b]pyridin-3-yl)-2,3-dihydro-1,4-benzoxazin-7-amine;2-(3-fluoro-3-methylcyclobutyl)-1-[7-(1H-pyrazolo[4,3-b]pyridin-3-ylamino)-2,3-dihydro-1,4-benzoxazin-4-yl]ethanone;4-phenyl-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)-2,3-dihydro-1,4-benzoxazin-7-amine;4-phenyl-N-(2H-pyrazolo[3,4-b]pyridin-3-yl)-2,3-dihydro-1,4-benzoxazin-7-amine has a molecular weight of 2142.54 g/mol, XLogP of 25.19, 22 rotatable bonds, 12 hydrogen bond donors, and 30 hydrogen bond acceptors.

Where does this data come from?

All data for 4-benzyl-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)-2,3-dihydro-1,4-benzoxazin-7-amine;4-(3,3-dimethylbutyl)-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)-2,3-dihydro-1,4-benzoxazin-7-amine;4-(3,3-dimethylbutyl)-N-(2H-pyrazolo[3,4-b]pyridin-3-yl)-2,3-dihydro-1,4-benzoxazin-7-amine;2-(3-fluoro-3-methylcyclobutyl)-1-[7-(1H-pyrazolo[4,3-b]pyridin-3-ylamino)-2,3-dihydro-1,4-benzoxazin-4-yl]ethanone;4-phenyl-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)-2,3-dihydro-1,4-benzoxazin-7-amine;4-phenyl-N-(2H-pyrazolo[3,4-b]pyridin-3-yl)-2,3-dihydro-1,4-benzoxazin-7-amine is sourced from PubChem (CID 157222102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).