N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-[3-(1H-pyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]benzamide;N-(2-ethoxyphenyl)-4-[3-(1H-pyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]benzamide;N-isoquinolin-5-yl-4-[3-(1H-pyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]benzamide;pyrazol-1-yl-[4-[3-(1H-pyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]methanone

C96H72N22O7 — CID 157135685

About N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-[3-(1H-pyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]benzamide;N-(2-ethoxyphenyl)-4-[3-(1H-pyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]benzamide;N-isoquinolin-5-yl-4-[3-(1H-pyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]benzamide;pyrazol-1-yl-[4-[3-(1H-pyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]methanone

N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-[3-(1H-pyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]benzamide;N-(2-ethoxyphenyl)-4-[3-(1H-pyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]benzamide;N-isoquinolin-5-yl-4-[3-(1H-pyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]benzamide;pyrazol-1-yl-[4-[3-(1H-pyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]methanone (PubChem CID 157135685) has the molecular formula C96H72N22O7 and a molecular weight of 1645.78 g/mol. Its IUPAC name is N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-[3-(1H-pyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]benzamide;N-(2-ethoxyphenyl)-4-[3-(1H-pyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]benzamide;N-isoquinolin-5-yl-4-[3-(1H-pyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]benzamide;pyrazol-1-yl-[4-[3-(1H-pyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]methanone.

Molecular Properties

• Compound Name: N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-[3-(1H-pyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]benzamide;N-(2-ethoxyphenyl)-4-[3-(1H-pyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]benzamide;N-isoquinolin-5-yl-4-[3-(1H-pyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]benzamide;pyrazol-1-yl-[4-[3-(1H-pyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]methanone
• PubChem CID: 157135685
• Molecular Formula: C96H72N22O7
• Molecular Weight: 1645.78 g/mol
• Exact Mass: 1644.60
• IUPAC Name: N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-[3-(1H-pyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]benzamide;N-(2-ethoxyphenyl)-4-[3-(1H-pyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]benzamide;N-isoquinolin-5-yl-4-[3-(1H-pyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]benzamide;pyrazol-1-yl-[4-[3-(1H-pyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]methanone
• SMILES: CCOc1ccccc1NC(=O)c1ccc(-c2cnc3[nH]cc(-c4cn[nH]c4)c3c2)cc1.O=C(Nc1ccc2c(c1)OCCO2)c1ccc(-c2cnc3[nH]cc(-c4cn[nH]c4)c3c2)cc1.O=C(Nc1cccc2cnccc12)c1ccc(-c2cnc3[nH]cc(-c4cn[nH]c4)c3c2)cc1.O=C(c1ccc(-c2cnc3[nH]cc(-c4cn[nH]c4)c3c2)cc1)n1cccn1
• InChI: InChI=1S/C26H18N6O.C25H19N5O3.C25H21N5O2.C20H14N6O/c33-26(32-24-3-1-2-18-11-27-9-8-21(18)24)17-6-4-16(5-7-17)19-10-22-23(20-13-30-31-14-20)15-29-25(22)28-12-19;31-25(30-19-5-6-22-23(10-19)33-8-7-32-22)16-3-1-15(2-4-16)17-9-20-21(18-12-28-29-13-18)14-27-24(20)26-11-17;1-2-32-23-6-4-3-5-22(23)30-25(31)17-9-7-16(8-10-17)18-11-20-21(19-13-28-29-14-19)15-27-24(20)26-12-18;27-20(26-7-1-6-25-26)14-4-2-13(3-5-14)15-8-17-18(16-10-23-24-11-16)12-22-19(17)21-9-15/h1-15H,(H,28,29)(H,30,31)(H,32,33);1-6,9-14H,7-8H2,(H,26,27)(H,28,29)(H,30,31);3-15H,2H2,1H3,(H,26,27)(H,28,29)(H,30,31);1-12H,(H,21,22)(H,23,24)
• InChIKey: AJOZKNAUIPZFHK-UHFFFAOYSA-N
• XLogP: 18.84
• TPSA: 392.21 Ų
• H-Bond Donors: 11
• H-Bond Acceptors: 18
• Rotatable Bonds: 17
• Heavy Atoms: 125
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1645.78
LogP ≤ 5	18.84
H-Bond Donors ≤ 5	11
H-Bond Acceptors ≤ 10	18

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-[3-(1H-pyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]benzamide;N-(2-ethoxyphenyl)-4-[3-(1H-pyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]benzamide;N-isoquinolin-5-yl-4-[3-(1H-pyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]benzamide;pyrazol-1-yl-[4-[3-(1H-pyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]methanone?

The IUPAC name of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-[3-(1H-pyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]benzamide;N-(2-ethoxyphenyl)-4-[3-(1H-pyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]benzamide;N-isoquinolin-5-yl-4-[3-(1H-pyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]benzamide;pyrazol-1-yl-[4-[3-(1H-pyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]methanone (CID 157135685) is N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-[3-(1H-pyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]benzamide;N-(2-ethoxyphenyl)-4-[3-(1H-pyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]benzamide;N-isoquinolin-5-yl-4-[3-(1H-pyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]benzamide;pyrazol-1-yl-[4-[3-(1H-pyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]methanone.

What is the SMILES notation for N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-[3-(1H-pyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]benzamide;N-(2-ethoxyphenyl)-4-[3-(1H-pyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]benzamide;N-isoquinolin-5-yl-4-[3-(1H-pyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]benzamide;pyrazol-1-yl-[4-[3-(1H-pyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]methanone?

The canonical SMILES for N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-[3-(1H-pyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]benzamide;N-(2-ethoxyphenyl)-4-[3-(1H-pyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]benzamide;N-isoquinolin-5-yl-4-[3-(1H-pyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]benzamide;pyrazol-1-yl-[4-[3-(1H-pyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]methanone is CCOc1ccccc1NC(=O)c1ccc(-c2cnc3[nH]cc(-c4cn[nH]c4)c3c2)cc1.O=C(Nc1ccc2c(c1)OCCO2)c1ccc(-c2cnc3[nH]cc(-c4cn[nH]c4)c3c2)cc1.O=C(Nc1cccc2cnccc12)c1ccc(-c2cnc3[nH]cc(-c4cn[nH]c4)c3c2)cc1.O=C(c1ccc(-c2cnc3[nH]cc(-c4cn[nH]c4)c3c2)cc1)n1cccn1.

What is the InChIKey of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-[3-(1H-pyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]benzamide;N-(2-ethoxyphenyl)-4-[3-(1H-pyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]benzamide;N-isoquinolin-5-yl-4-[3-(1H-pyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]benzamide;pyrazol-1-yl-[4-[3-(1H-pyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]methanone?

The InChIKey is AJOZKNAUIPZFHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H18N6O.C25H19N5O3.C25H21N5O2.C20H14N6O/c33-26(32-24-3-1-2-18-11-27-9-8-21(18)24)17-6-4-16(5-7-17)19-10-22-23(20-13-30-31-14-20)15-29-25(22)28-12-19;31-25(30-19-5-6-22-23(10-19)33-8-7-32-22)16-3-1-15(2-4-16)17-9-20-21(18-12-28-29-13-18)14-27-24(20)26-11-17;1-2-32-23-6-4-3-5-22(23)30-25(31)17-9-7-16(8-10-17)18-11-20-21(19-13-28-29-14-19)15-27-24(20)26-12-18;27-20(26-7-1-6-25-26)14-4-2-13(3-5-14)15-8-17-18(16-10-23-24-11-16)12-22-19(17)21-9-15/h1-15H,(H,28,29)(H,30,31)(H,32,33);1-6,9-14H,7-8H2,(H,26,27)(H,28,29)(H,30,31);3-15H,2H2,1H3,(H,26,27)(H,28,29)(H,30,31);1-12H,(H,21,22)(H,23,24).

What are the key properties of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-[3-(1H-pyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]benzamide;N-(2-ethoxyphenyl)-4-[3-(1H-pyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]benzamide;N-isoquinolin-5-yl-4-[3-(1H-pyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]benzamide;pyrazol-1-yl-[4-[3-(1H-pyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]methanone?

N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-[3-(1H-pyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]benzamide;N-(2-ethoxyphenyl)-4-[3-(1H-pyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]benzamide;N-isoquinolin-5-yl-4-[3-(1H-pyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]benzamide;pyrazol-1-yl-[4-[3-(1H-pyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]methanone has a molecular weight of 1645.78 g/mol, XLogP of 18.84, 17 rotatable bonds, 11 hydrogen bond donors, and 18 hydrogen bond acceptors.

Where does this data come from?

All data for N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-[3-(1H-pyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]benzamide;N-(2-ethoxyphenyl)-4-[3-(1H-pyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]benzamide;N-isoquinolin-5-yl-4-[3-(1H-pyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]benzamide;pyrazol-1-yl-[4-[3-(1H-pyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]methanone is sourced from PubChem (CID 157135685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).