N-benzyl-N-methyl-2-[6-(1H-pyrazolo[4,3-b]pyridin-3-ylamino)-1,2-benzoxazol-3-yl]acetamide;3-(2,2-dimethylpropyl)-7-fluoro-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)-1,2-benzoxazol-6-amine;3-[2-(4-ethylpiperazin-1-yl)prop-2-enyl]-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)-1,2-benzoxazol-6-amine;2-[6-(1H-pyrazolo[4,3-b]pyridin-3-ylamino)-1,2-benzoxazol-3-yl]-1-(2-pyridin-2-ylpyrrolidin-1-yl)ethanone

C87H84FN25O6 — CID 159550763

About N-benzyl-N-methyl-2-[6-(1H-pyrazolo[4,3-b]pyridin-3-ylamino)-1,2-benzoxazol-3-yl]acetamide;3-(2,2-dimethylpropyl)-7-fluoro-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)-1,2-benzoxazol-6-amine;3-[2-(4-ethylpiperazin-1-yl)prop-2-enyl]-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)-1,2-benzoxazol-6-amine;2-[6-(1H-pyrazolo[4,3-b]pyridin-3-ylamino)-1,2-benzoxazol-3-yl]-1-(2-pyridin-2-ylpyrrolidin-1-yl)ethanone

N-benzyl-N-methyl-2-[6-(1H-pyrazolo[4,3-b]pyridin-3-ylamino)-1,2-benzoxazol-3-yl]acetamide;3-(2,2-dimethylpropyl)-7-fluoro-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)-1,2-benzoxazol-6-amine;3-[2-(4-ethylpiperazin-1-yl)prop-2-enyl]-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)-1,2-benzoxazol-6-amine;2-[6-(1H-pyrazolo[4,3-b]pyridin-3-ylamino)-1,2-benzoxazol-3-yl]-1-(2-pyridin-2-ylpyrrolidin-1-yl)ethanone (PubChem CID 159550763) has the molecular formula C87H84FN25O6 and a molecular weight of 1594.80 g/mol. Its IUPAC name is N-benzyl-N-methyl-2-[6-(1H-pyrazolo[4,3-b]pyridin-3-ylamino)-1,2-benzoxazol-3-yl]acetamide;3-(2,2-dimethylpropyl)-7-fluoro-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)-1,2-benzoxazol-6-amine;3-[2-(4-ethylpiperazin-1-yl)prop-2-enyl]-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)-1,2-benzoxazol-6-amine;2-[6-(1H-pyrazolo[4,3-b]pyridin-3-ylamino)-1,2-benzoxazol-3-yl]-1-(2-pyridin-2-ylpyrrolidin-1-yl)ethanone.

Molecular Properties

• Compound Name: N-benzyl-N-methyl-2-[6-(1H-pyrazolo[4,3-b]pyridin-3-ylamino)-1,2-benzoxazol-3-yl]acetamide;3-(2,2-dimethylpropyl)-7-fluoro-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)-1,2-benzoxazol-6-amine;3-[2-(4-ethylpiperazin-1-yl)prop-2-enyl]-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)-1,2-benzoxazol-6-amine;2-[6-(1H-pyrazolo[4,3-b]pyridin-3-ylamino)-1,2-benzoxazol-3-yl]-1-(2-pyridin-2-ylpyrrolidin-1-yl)ethanone
• PubChem CID: 159550763
• Molecular Formula: C87H84FN25O6
• Molecular Weight: 1594.80 g/mol
• Exact Mass: 1593.70
• IUPAC Name: N-benzyl-N-methyl-2-[6-(1H-pyrazolo[4,3-b]pyridin-3-ylamino)-1,2-benzoxazol-3-yl]acetamide;3-(2,2-dimethylpropyl)-7-fluoro-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)-1,2-benzoxazol-6-amine;3-[2-(4-ethylpiperazin-1-yl)prop-2-enyl]-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)-1,2-benzoxazol-6-amine;2-[6-(1H-pyrazolo[4,3-b]pyridin-3-ylamino)-1,2-benzoxazol-3-yl]-1-(2-pyridin-2-ylpyrrolidin-1-yl)ethanone
• SMILES: C=C(Cc1noc2cc(Nc3n[nH]c4cccnc34)ccc12)N1CCN(CC)CC1.CC(C)(C)Cc1noc2c(F)c(Nc3n[nH]c4cccnc34)ccc12.CN(Cc1ccccc1)C(=O)Cc1noc2cc(Nc3n[nH]c4cccnc34)ccc12.O=C(Cc1noc2cc(Nc3n[nH]c4cccnc34)ccc12)N1CCCC1c1ccccn1
• InChI: InChI=1S/C24H21N7O2.C23H20N6O2.C22H25N7O.C18H18FN5O/c32-22(31-12-4-7-20(31)17-5-1-2-10-25-17)14-19-16-9-8-15(13-21(16)33-30-19)27-24-23-18(28-29-24)6-3-11-26-23;1-29(14-15-6-3-2-4-7-15)21(30)13-19-17-10-9-16(12-20(17)31-28-19)25-23-22-18(26-27-23)8-5-11-24-22;1-3-28-9-11-29(12-10-28)15(2)13-19-17-7-6-16(14-20(17)30-27-19)24-22-21-18(25-26-22)5-4-8-23-21;1-18(2,3)9-13-10-6-7-11(14(19)16(10)25-24-13)21-17-15-12(22-23-17)5-4-8-20-15/h1-3,5-6,8-11,13,20H,4,7,12,14H2,(H2,27,28,29);2-12H,13-14H2,1H3,(H2,25,26,27);4-8,14H,2-3,9-13H2,1H3,(H2,24,25,26);4-8H,9H2,1-3H3,(H2,21,22,23)
• InChIKey: MFJAAVBOIKHBTK-UHFFFAOYSA-N
• XLogP: 16.29
• TPSA: 378.51 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 25
• Rotatable Bonds: 20
• Heavy Atoms: 119
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1594.80
LogP ≤ 5	16.29
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	25

Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-methyl-2-[6-(1H-pyrazolo[4,3-b]pyridin-3-ylamino)-1,2-benzoxazol-3-yl]acetamide;3-(2,2-dimethylpropyl)-7-fluoro-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)-1,2-benzoxazol-6-amine;3-[2-(4-ethylpiperazin-1-yl)prop-2-enyl]-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)-1,2-benzoxazol-6-amine;2-[6-(1H-pyrazolo[4,3-b]pyridin-3-ylamino)-1,2-benzoxazol-3-yl]-1-(2-pyridin-2-ylpyrrolidin-1-yl)ethanone?

The IUPAC name of N-benzyl-N-methyl-2-[6-(1H-pyrazolo[4,3-b]pyridin-3-ylamino)-1,2-benzoxazol-3-yl]acetamide;3-(2,2-dimethylpropyl)-7-fluoro-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)-1,2-benzoxazol-6-amine;3-[2-(4-ethylpiperazin-1-yl)prop-2-enyl]-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)-1,2-benzoxazol-6-amine;2-[6-(1H-pyrazolo[4,3-b]pyridin-3-ylamino)-1,2-benzoxazol-3-yl]-1-(2-pyridin-2-ylpyrrolidin-1-yl)ethanone (CID 159550763) is N-benzyl-N-methyl-2-[6-(1H-pyrazolo[4,3-b]pyridin-3-ylamino)-1,2-benzoxazol-3-yl]acetamide;3-(2,2-dimethylpropyl)-7-fluoro-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)-1,2-benzoxazol-6-amine;3-[2-(4-ethylpiperazin-1-yl)prop-2-enyl]-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)-1,2-benzoxazol-6-amine;2-[6-(1H-pyrazolo[4,3-b]pyridin-3-ylamino)-1,2-benzoxazol-3-yl]-1-(2-pyridin-2-ylpyrrolidin-1-yl)ethanone.

What is the SMILES notation for N-benzyl-N-methyl-2-[6-(1H-pyrazolo[4,3-b]pyridin-3-ylamino)-1,2-benzoxazol-3-yl]acetamide;3-(2,2-dimethylpropyl)-7-fluoro-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)-1,2-benzoxazol-6-amine;3-[2-(4-ethylpiperazin-1-yl)prop-2-enyl]-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)-1,2-benzoxazol-6-amine;2-[6-(1H-pyrazolo[4,3-b]pyridin-3-ylamino)-1,2-benzoxazol-3-yl]-1-(2-pyridin-2-ylpyrrolidin-1-yl)ethanone?

The canonical SMILES for N-benzyl-N-methyl-2-[6-(1H-pyrazolo[4,3-b]pyridin-3-ylamino)-1,2-benzoxazol-3-yl]acetamide;3-(2,2-dimethylpropyl)-7-fluoro-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)-1,2-benzoxazol-6-amine;3-[2-(4-ethylpiperazin-1-yl)prop-2-enyl]-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)-1,2-benzoxazol-6-amine;2-[6-(1H-pyrazolo[4,3-b]pyridin-3-ylamino)-1,2-benzoxazol-3-yl]-1-(2-pyridin-2-ylpyrrolidin-1-yl)ethanone is C=C(Cc1noc2cc(Nc3n[nH]c4cccnc34)ccc12)N1CCN(CC)CC1.CC(C)(C)Cc1noc2c(F)c(Nc3n[nH]c4cccnc34)ccc12.CN(Cc1ccccc1)C(=O)Cc1noc2cc(Nc3n[nH]c4cccnc34)ccc12.O=C(Cc1noc2cc(Nc3n[nH]c4cccnc34)ccc12)N1CCCC1c1ccccn1.

What is the InChIKey of N-benzyl-N-methyl-2-[6-(1H-pyrazolo[4,3-b]pyridin-3-ylamino)-1,2-benzoxazol-3-yl]acetamide;3-(2,2-dimethylpropyl)-7-fluoro-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)-1,2-benzoxazol-6-amine;3-[2-(4-ethylpiperazin-1-yl)prop-2-enyl]-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)-1,2-benzoxazol-6-amine;2-[6-(1H-pyrazolo[4,3-b]pyridin-3-ylamino)-1,2-benzoxazol-3-yl]-1-(2-pyridin-2-ylpyrrolidin-1-yl)ethanone?

The InChIKey is MFJAAVBOIKHBTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21N7O2.C23H20N6O2.C22H25N7O.C18H18FN5O/c32-22(31-12-4-7-20(31)17-5-1-2-10-25-17)14-19-16-9-8-15(13-21(16)33-30-19)27-24-23-18(28-29-24)6-3-11-26-23;1-29(14-15-6-3-2-4-7-15)21(30)13-19-17-10-9-16(12-20(17)31-28-19)25-23-22-18(26-27-23)8-5-11-24-22;1-3-28-9-11-29(12-10-28)15(2)13-19-17-7-6-16(14-20(17)30-27-19)24-22-21-18(25-26-22)5-4-8-23-21;1-18(2,3)9-13-10-6-7-11(14(19)16(10)25-24-13)21-17-15-12(22-23-17)5-4-8-20-15/h1-3,5-6,8-11,13,20H,4,7,12,14H2,(H2,27,28,29);2-12H,13-14H2,1H3,(H2,25,26,27);4-8,14H,2-3,9-13H2,1H3,(H2,24,25,26);4-8H,9H2,1-3H3,(H2,21,22,23).

What are the key properties of N-benzyl-N-methyl-2-[6-(1H-pyrazolo[4,3-b]pyridin-3-ylamino)-1,2-benzoxazol-3-yl]acetamide;3-(2,2-dimethylpropyl)-7-fluoro-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)-1,2-benzoxazol-6-amine;3-[2-(4-ethylpiperazin-1-yl)prop-2-enyl]-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)-1,2-benzoxazol-6-amine;2-[6-(1H-pyrazolo[4,3-b]pyridin-3-ylamino)-1,2-benzoxazol-3-yl]-1-(2-pyridin-2-ylpyrrolidin-1-yl)ethanone?

N-benzyl-N-methyl-2-[6-(1H-pyrazolo[4,3-b]pyridin-3-ylamino)-1,2-benzoxazol-3-yl]acetamide;3-(2,2-dimethylpropyl)-7-fluoro-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)-1,2-benzoxazol-6-amine;3-[2-(4-ethylpiperazin-1-yl)prop-2-enyl]-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)-1,2-benzoxazol-6-amine;2-[6-(1H-pyrazolo[4,3-b]pyridin-3-ylamino)-1,2-benzoxazol-3-yl]-1-(2-pyridin-2-ylpyrrolidin-1-yl)ethanone has a molecular weight of 1594.80 g/mol, XLogP of 16.29, 20 rotatable bonds, 8 hydrogen bond donors, and 25 hydrogen bond acceptors.

Where does this data come from?

All data for N-benzyl-N-methyl-2-[6-(1H-pyrazolo[4,3-b]pyridin-3-ylamino)-1,2-benzoxazol-3-yl]acetamide;3-(2,2-dimethylpropyl)-7-fluoro-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)-1,2-benzoxazol-6-amine;3-[2-(4-ethylpiperazin-1-yl)prop-2-enyl]-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)-1,2-benzoxazol-6-amine;2-[6-(1H-pyrazolo[4,3-b]pyridin-3-ylamino)-1,2-benzoxazol-3-yl]-1-(2-pyridin-2-ylpyrrolidin-1-yl)ethanone is sourced from PubChem (CID 159550763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).