5-(2,3-dihydro-1-benzofuran-5-yl)-3-(1H-pyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine;N-(furan-2-ylmethyl)-4-[3-(1H-pyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]benzamide;[4-(2-methoxyphenyl)piperazin-1-yl]-[4-[3-(1H-pyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]methanone;N-(oxolan-2-ylmethyl)-4-[3-(1H-pyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]benzamide

C90H78N20O7 — CID 157328394

About 5-(2,3-dihydro-1-benzofuran-5-yl)-3-(1H-pyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine;N-(furan-2-ylmethyl)-4-[3-(1H-pyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]benzamide;[4-(2-methoxyphenyl)piperazin-1-yl]-[4-[3-(1H-pyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]methanone;N-(oxolan-2-ylmethyl)-4-[3-(1H-pyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]benzamide

5-(2,3-dihydro-1-benzofuran-5-yl)-3-(1H-pyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine;N-(furan-2-ylmethyl)-4-[3-(1H-pyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]benzamide;[4-(2-methoxyphenyl)piperazin-1-yl]-[4-[3-(1H-pyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]methanone;N-(oxolan-2-ylmethyl)-4-[3-(1H-pyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]benzamide (PubChem CID 157328394) has the molecular formula C90H78N20O7 and a molecular weight of 1551.75 g/mol. Its IUPAC name is 5-(2,3-dihydro-1-benzofuran-5-yl)-3-(1H-pyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine;N-(furan-2-ylmethyl)-4-[3-(1H-pyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]benzamide;[4-(2-methoxyphenyl)piperazin-1-yl]-[4-[3-(1H-pyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]methanone;N-(oxolan-2-ylmethyl)-4-[3-(1H-pyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]benzamide.

Molecular Properties

• Compound Name: 5-(2,3-dihydro-1-benzofuran-5-yl)-3-(1H-pyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine;N-(furan-2-ylmethyl)-4-[3-(1H-pyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]benzamide;[4-(2-methoxyphenyl)piperazin-1-yl]-[4-[3-(1H-pyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]methanone;N-(oxolan-2-ylmethyl)-4-[3-(1H-pyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]benzamide
• PubChem CID: 157328394
• Molecular Formula: C90H78N20O7
• Molecular Weight: 1551.75 g/mol
• Exact Mass: 1550.64
• IUPAC Name: 5-(2,3-dihydro-1-benzofuran-5-yl)-3-(1H-pyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine;N-(furan-2-ylmethyl)-4-[3-(1H-pyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]benzamide;[4-(2-methoxyphenyl)piperazin-1-yl]-[4-[3-(1H-pyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]methanone;N-(oxolan-2-ylmethyl)-4-[3-(1H-pyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]benzamide
• SMILES: COc1ccccc1N1CCN(C(=O)c2ccc(-c3cnc4[nH]cc(-c5cn[nH]c5)c4c3)cc2)CC1.O=C(NCC1CCCO1)c1ccc(-c2cnc3[nH]cc(-c4cn[nH]c4)c3c2)cc1.O=C(NCc1ccco1)c1ccc(-c2cnc3[nH]cc(-c4cn[nH]c4)c3c2)cc1.c1cc2c(cc1-c1cnc3[nH]cc(-c4cn[nH]c4)c3c1)CCO2
• InChI: InChI=1S/C28H26N6O2.C22H21N5O2.C22H17N5O2.C18H14N4O/c1-36-26-5-3-2-4-25(26)33-10-12-34(13-11-33)28(35)20-8-6-19(7-9-20)21-14-23-24(22-16-31-32-17-22)18-30-27(23)29-15-21;2*28-22(25-12-18-2-1-7-29-18)15-5-3-14(4-6-15)16-8-19-20(17-10-26-27-11-17)13-24-21(19)23-9-16;1-2-17-12(3-4-23-17)5-11(1)13-6-15-16(14-8-21-22-9-14)10-20-18(15)19-7-13/h2-9,14-18H,10-13H2,1H3,(H,29,30)(H,31,32);3-6,8-11,13,18H,1-2,7,12H2,(H,23,24)(H,25,28)(H,26,27);1-11,13H,12H2,(H,23,24)(H,25,28)(H,26,27);1-2,5-10H,3-4H2,(H,19,20)(H,21,22)
• InChIKey: BEZMVOUJUZGLHM-UHFFFAOYSA-N
• XLogP: 15.82
• TPSA: 352.02 Ų
• H-Bond Donors: 10
• H-Bond Acceptors: 16
• Rotatable Bonds: 17
• Heavy Atoms: 117
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1551.75
LogP ≤ 5	15.82
H-Bond Donors ≤ 5	10
H-Bond Acceptors ≤ 10	16

Frequently Asked Questions

What is the IUPAC name of 5-(2,3-dihydro-1-benzofuran-5-yl)-3-(1H-pyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine;N-(furan-2-ylmethyl)-4-[3-(1H-pyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]benzamide;[4-(2-methoxyphenyl)piperazin-1-yl]-[4-[3-(1H-pyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]methanone;N-(oxolan-2-ylmethyl)-4-[3-(1H-pyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]benzamide?

The IUPAC name of 5-(2,3-dihydro-1-benzofuran-5-yl)-3-(1H-pyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine;N-(furan-2-ylmethyl)-4-[3-(1H-pyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]benzamide;[4-(2-methoxyphenyl)piperazin-1-yl]-[4-[3-(1H-pyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]methanone;N-(oxolan-2-ylmethyl)-4-[3-(1H-pyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]benzamide (CID 157328394) is 5-(2,3-dihydro-1-benzofuran-5-yl)-3-(1H-pyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine;N-(furan-2-ylmethyl)-4-[3-(1H-pyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]benzamide;[4-(2-methoxyphenyl)piperazin-1-yl]-[4-[3-(1H-pyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]methanone;N-(oxolan-2-ylmethyl)-4-[3-(1H-pyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]benzamide.

What is the SMILES notation for 5-(2,3-dihydro-1-benzofuran-5-yl)-3-(1H-pyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine;N-(furan-2-ylmethyl)-4-[3-(1H-pyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]benzamide;[4-(2-methoxyphenyl)piperazin-1-yl]-[4-[3-(1H-pyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]methanone;N-(oxolan-2-ylmethyl)-4-[3-(1H-pyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]benzamide?

The canonical SMILES for 5-(2,3-dihydro-1-benzofuran-5-yl)-3-(1H-pyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine;N-(furan-2-ylmethyl)-4-[3-(1H-pyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]benzamide;[4-(2-methoxyphenyl)piperazin-1-yl]-[4-[3-(1H-pyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]methanone;N-(oxolan-2-ylmethyl)-4-[3-(1H-pyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]benzamide is COc1ccccc1N1CCN(C(=O)c2ccc(-c3cnc4[nH]cc(-c5cn[nH]c5)c4c3)cc2)CC1.O=C(NCC1CCCO1)c1ccc(-c2cnc3[nH]cc(-c4cn[nH]c4)c3c2)cc1.O=C(NCc1ccco1)c1ccc(-c2cnc3[nH]cc(-c4cn[nH]c4)c3c2)cc1.c1cc2c(cc1-c1cnc3[nH]cc(-c4cn[nH]c4)c3c1)CCO2.

What is the InChIKey of 5-(2,3-dihydro-1-benzofuran-5-yl)-3-(1H-pyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine;N-(furan-2-ylmethyl)-4-[3-(1H-pyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]benzamide;[4-(2-methoxyphenyl)piperazin-1-yl]-[4-[3-(1H-pyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]methanone;N-(oxolan-2-ylmethyl)-4-[3-(1H-pyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]benzamide?

The InChIKey is BEZMVOUJUZGLHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H26N6O2.C22H21N5O2.C22H17N5O2.C18H14N4O/c1-36-26-5-3-2-4-25(26)33-10-12-34(13-11-33)28(35)20-8-6-19(7-9-20)21-14-23-24(22-16-31-32-17-22)18-30-27(23)29-15-21;2*28-22(25-12-18-2-1-7-29-18)15-5-3-14(4-6-15)16-8-19-20(17-10-26-27-11-17)13-24-21(19)23-9-16;1-2-17-12(3-4-23-17)5-11(1)13-6-15-16(14-8-21-22-9-14)10-20-18(15)19-7-13/h2-9,14-18H,10-13H2,1H3,(H,29,30)(H,31,32);3-6,8-11,13,18H,1-2,7,12H2,(H,23,24)(H,25,28)(H,26,27);1-11,13H,12H2,(H,23,24)(H,25,28)(H,26,27);1-2,5-10H,3-4H2,(H,19,20)(H,21,22).

What are the key properties of 5-(2,3-dihydro-1-benzofuran-5-yl)-3-(1H-pyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine;N-(furan-2-ylmethyl)-4-[3-(1H-pyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]benzamide;[4-(2-methoxyphenyl)piperazin-1-yl]-[4-[3-(1H-pyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]methanone;N-(oxolan-2-ylmethyl)-4-[3-(1H-pyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]benzamide?

5-(2,3-dihydro-1-benzofuran-5-yl)-3-(1H-pyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine;N-(furan-2-ylmethyl)-4-[3-(1H-pyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]benzamide;[4-(2-methoxyphenyl)piperazin-1-yl]-[4-[3-(1H-pyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]methanone;N-(oxolan-2-ylmethyl)-4-[3-(1H-pyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]benzamide has a molecular weight of 1551.75 g/mol, XLogP of 15.82, 17 rotatable bonds, 10 hydrogen bond donors, and 16 hydrogen bond acceptors.

Where does this data come from?

All data for 5-(2,3-dihydro-1-benzofuran-5-yl)-3-(1H-pyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine;N-(furan-2-ylmethyl)-4-[3-(1H-pyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]benzamide;[4-(2-methoxyphenyl)piperazin-1-yl]-[4-[3-(1H-pyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]methanone;N-(oxolan-2-ylmethyl)-4-[3-(1H-pyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]benzamide is sourced from PubChem (CID 157328394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).