3-methyl-N-[5-[3-(7-pyridin-4-yl-3H-imidazo[4,5-c]pyridin-2-yl)-1H-indazol-5-yl]-3-pyridinyl]butanamide;2-[5-(4-methyl-3-pyridinyl)-1H-indazol-3-yl]-7-pyridin-4-yl-3H-imidazo[4,5-c]pyridine;5-[3-(7-pyridin-4-yl-3H-imidazo[4,5-c]pyridin-2-yl)-1H-indazol-5-yl]pyridin-3-amine;N-[5-[3-(7-pyridin-4-yl-3H-imidazo[4,5-c]pyridin-2-yl)-1H-indazol-5-yl]-3-pyridinyl]propanamide;7-pyridin-4-yl-2-(5-pyridin-3-yl-1H-indazol-3-yl)-3H-imidazo[4,5-c]pyridine
C124H92N38O2 — CID 157052806
Data last refreshed: (MolForge compound catalog, from PubChem)
IUPAC3-methyl-N-[5-[3-(7-pyridin-4-yl-3H-imidazo[4,5-c]pyridin-2-yl)-1H-indazol-5-yl]-3-pyridinyl]butanamide;2-[5-(4-methyl-3-pyridinyl)-1H-indazol-3-yl]-7-pyridin-4-yl-3H-imidazo[4,5-c]pyridine;5-[3-(7-pyridin-4-yl-3H-imidazo[4,5-c]pyridin-2-yl)-1H-indazol-5-yl]pyridin-3-amine;N-[5-[3-(7-pyridin-4-yl-3H-imidazo[4,5-c]pyridin-2-yl)-1H-indazol-5-yl]-3-pyridinyl]propanamide;7-pyridin-4-yl-2-(5-pyridin-3-yl-1H-indazol-3-yl)-3H-imidazo[4,5-c]pyridine
SMILESCC(C)CC(=O)Nc1cncc(-c2ccc3[nH]nc(-c4nc5c(-c6ccncc6)cncc5[nH]4)c3c2)c1.CCC(=O)Nc1cncc(-c2ccc3[nH]nc(-c4nc5c(-c6ccncc6)cncc5[nH]4)c3c2)c1.Cc1ccncc1-c1ccc2[nH]nc(-c3nc4c(-c5ccncc5)cncc4[nH]3)c2c1.Nc1cncc(-c2ccc3[nH]nc(-c4nc5c(-c6ccncc6)cncc5[nH]4)c3c2)c1.c1cncc(-c2ccc3[nH]nc(-c4nc5c(-c6ccncc6)cncc5[nH]4)c3c2)c1
InChIInChI=1S/C28H24N8O.C26H20N8O.C24H17N7.C23H16N8.C23H15N7/c1-16(2)9-25(37)32-20-10-19(12-30-13-20)18-3-4-23-21(11-18)27(36-35-23)28-33-24-15-31-14-22(26(24)34-28)17-5-7-29-8-6-17;1-2-23(35)30-18-9-17(11-28-12-18)16-3-4-21-19(10-16)25(34-33-21)26-31-22-14-29-13-20(24(22)32-26)15-5-7-27-8-6-15;1-14-4-7-26-11-18(14)16-2-3-20-17(10-16)23(31-30-20)24-28-21-13-27-12-19(22(21)29-24)15-5-8-25-9-6-15;24-16-7-15(9-26-10-16)14-1-2-19-17(8-14)22(31-30-19)23-28-20-12-27-11-18(21(20)29-23)13-3-5-25-6-4-13;1-2-16(11-25-7-1)15-3-4-19-17(10-15)22(30-29-19)23-27-20-13-26-12-18(21(20)28-23)14-5-8-24-9-6-14/h3-8,10-16H,9H2,1-2H3,(H,32,37)(H,33,34)(H,35,36);3-14H,2H2,1H3,(H,30,35)(H,31,32)(H,33,34);2-13H,1H3,(H,28,29)(H,30,31);1-12H,24H2,(H,28,29)(H,30,31);1-13H,(H,27,28)(H,29,30)
InChIKeyAAKFTCVFOMTWBW-UHFFFAOYSA-N
MW2146.36 g/mol
LogP24.35
Rot. Bonds20
About 3-methyl-N-[5-[3-(7-pyridin-4-yl-3H-imidazo[4,5-c]pyridin-2-yl)-1H-indazol-5-yl]-3-pyridinyl]butanamide;2-[5-(4-methyl-3-pyridinyl)-1H-indazol-3-yl]-7-pyridin-4-yl-3H-imidazo[4,5-c]pyridine;5-[3-(7-pyridin-4-yl-3H-imidazo[4,5-c]pyridin-2-yl)-1H-indazol-5-yl]pyridin-3-amine;N-[5-[3-(7-pyridin-4-yl-3H-imidazo[4,5-c]pyridin-2-yl)-1H-indazol-5-yl]-3-pyridinyl]propanamide;7-pyridin-4-yl-2-(5-pyridin-3-yl-1H-indazol-3-yl)-3H-imidazo[4,5-c]pyridine
3-methyl-N-[5-[3-(7-pyridin-4-yl-3H-imidazo[4,5-c]pyridin-2-yl)-1H-indazol-5-yl]-3-pyridinyl]butanamide;2-[5-(4-methyl-3-pyridinyl)-1H-indazol-3-yl]-7-pyridin-4-yl-3H-imidazo[4,5-c]pyridine;5-[3-(7-pyridin-4-yl-3H-imidazo[4,5-c]pyridin-2-yl)-1H-indazol-5-yl]pyridin-3-amine;N-[5-[3-(7-pyridin-4-yl-3H-imidazo[4,5-c]pyridin-2-yl)-1H-indazol-5-yl]-3-pyridinyl]propanamide;7-pyridin-4-yl-2-(5-pyridin-3-yl-1H-indazol-3-yl)-3H-imidazo[4,5-c]pyridine (PubChem CID 157052806) has the molecular formula C124H92N38O2 and a molecular weight of 2146.36 g/mol. Its IUPAC name is 3-methyl-N-[5-[3-(7-pyridin-4-yl-3H-imidazo[4,5-c]pyridin-2-yl)-1H-indazol-5-yl]-3-pyridinyl]butanamide;2-[5-(4-methyl-3-pyridinyl)-1H-indazol-3-yl]-7-pyridin-4-yl-3H-imidazo[4,5-c]pyridine;5-[3-(7-pyridin-4-yl-3H-imidazo[4,5-c]pyridin-2-yl)-1H-indazol-5-yl]pyridin-3-amine;N-[5-[3-(7-pyridin-4-yl-3H-imidazo[4,5-c]pyridin-2-yl)-1H-indazol-5-yl]-3-pyridinyl]propanamide;7-pyridin-4-yl-2-(5-pyridin-3-yl-1H-indazol-3-yl)-3H-imidazo[4,5-c]pyridine.
Molecular Properties
| Compound Name | 3-methyl-N-[5-[3-(7-pyridin-4-yl-3H-imidazo[4,5-c]pyridin-2-yl)-1H-indazol-5-yl]-3-pyridinyl]butanamide;2-[5-(4-methyl-3-pyridinyl)-1H-indazol-3-yl]-7-pyridin-4-yl-3H-imidazo[4,5-c]pyridine;5-[3-(7-pyridin-4-yl-3H-imidazo[4,5-c]pyridin-2-yl)-1H-indazol-5-yl]pyridin-3-amine;N-[5-[3-(7-pyridin-4-yl-3H-imidazo[4,5-c]pyridin-2-yl)-1H-indazol-5-yl]-3-pyridinyl]propanamide;7-pyridin-4-yl-2-(5-pyridin-3-yl-1H-indazol-3-yl)-3H-imidazo[4,5-c]pyridine |
|---|---|
| PubChem CID | 157052806 |
| Molecular Formula | C124H92N38O2 |
| Molecular Weight | 2146.36 g/mol |
| Exact Mass | 2144.83 |
| IUPAC Name | 3-methyl-N-[5-[3-(7-pyridin-4-yl-3H-imidazo[4,5-c]pyridin-2-yl)-1H-indazol-5-yl]-3-pyridinyl]butanamide;2-[5-(4-methyl-3-pyridinyl)-1H-indazol-3-yl]-7-pyridin-4-yl-3H-imidazo[4,5-c]pyridine;5-[3-(7-pyridin-4-yl-3H-imidazo[4,5-c]pyridin-2-yl)-1H-indazol-5-yl]pyridin-3-amine;N-[5-[3-(7-pyridin-4-yl-3H-imidazo[4,5-c]pyridin-2-yl)-1H-indazol-5-yl]-3-pyridinyl]propanamide;7-pyridin-4-yl-2-(5-pyridin-3-yl-1H-indazol-3-yl)-3H-imidazo[4,5-c]pyridine |
| SMILES | CC(C)CC(=O)Nc1cncc(-c2ccc3[nH]nc(-c4nc5c(-c6ccncc6)cncc5[nH]4)c3c2)c1.CCC(=O)Nc1cncc(-c2ccc3[nH]nc(-c4nc5c(-c6ccncc6)cncc5[nH]4)c3c2)c1.Cc1ccncc1-c1ccc2[nH]nc(-c3nc4c(-c5ccncc5)cncc4[nH]3)c2c1.Nc1cncc(-c2ccc3[nH]nc(-c4nc5c(-c6ccncc6)cncc5[nH]4)c3c2)c1.c1cncc(-c2ccc3[nH]nc(-c4nc5c(-c6ccncc6)cncc5[nH]4)c3c2)c1 |
| InChI | InChI=1S/C28H24N8O.C26H20N8O.C24H17N7.C23H16N8.C23H15N7/c1-16(2)9-25(37)32-20-10-19(12-30-13-20)18-3-4-23-21(11-18)27(36-35-23)28-33-24-15-31-14-22(26(24)34-28)17-5-7-29-8-6-17;1-2-23(35)30-18-9-17(11-28-12-18)16-3-4-21-19(10-16)25(34-33-21)26-31-22-14-29-13-20(24(22)32-26)15-5-7-27-8-6-15;1-14-4-7-26-11-18(14)16-2-3-20-17(10-16)23(31-30-20)24-28-21-13-27-12-19(22(21)29-24)15-5-8-25-9-6-15;24-16-7-15(9-26-10-16)14-1-2-19-17(8-14)22(31-30-19)23-28-20-12-27-11-18(21(20)29-23)13-3-5-25-6-4-13;1-2-16(11-25-7-1)15-3-4-19-17(10-15)22(30-29-19)23-27-20-13-26-12-18(21(20)28-23)14-5-8-24-9-6-14/h3-8,10-16H,9H2,1-2H3,(H,32,37)(H,33,34)(H,35,36);3-14H,2H2,1H3,(H,30,35)(H,31,32)(H,33,34);2-13H,1H3,(H,28,29)(H,30,31);1-12H,24H2,(H,28,29)(H,30,31);1-13H,(H,27,28)(H,29,30) |
| InChIKey | AAKFTCVFOMTWBW-UHFFFAOYSA-N |
| XLogP | 24.35 |
| TPSA | 564.37 Ų |
| H-Bond Donors | 13 |
| H-Bond Acceptors | 28 |
| Rotatable Bonds | 20 |
| Heavy Atoms | 164 |
| Complexity | — |
Lipinski Rule of Five
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2146.36 |
| LogP ≤ 5 | 24.35 |
| H-Bond Donors ≤ 5 | 13 |
| H-Bond Acceptors ≤ 10 | 28 |
Frequently Asked Questions
What is the IUPAC name of 3-methyl-N-[5-[3-(7-pyridin-4-yl-3H-imidazo[4,5-c]pyridin-2-yl)-1H-indazol-5-yl]-3-pyridinyl]butanamide;2-[5-(4-methyl-3-pyridinyl)-1H-indazol-3-yl]-7-pyridin-4-yl-3H-imidazo[4,5-c]pyridine;5-[3-(7-pyridin-4-yl-3H-imidazo[4,5-c]pyridin-2-yl)-1H-indazol-5-yl]pyridin-3-amine;N-[5-[3-(7-pyridin-4-yl-3H-imidazo[4,5-c]pyridin-2-yl)-1H-indazol-5-yl]-3-pyridinyl]propanamide;7-pyridin-4-yl-2-(5-pyridin-3-yl-1H-indazol-3-yl)-3H-imidazo[4,5-c]pyridine?
The IUPAC name of 3-methyl-N-[5-[3-(7-pyridin-4-yl-3H-imidazo[4,5-c]pyridin-2-yl)-1H-indazol-5-yl]-3-pyridinyl]butanamide;2-[5-(4-methyl-3-pyridinyl)-1H-indazol-3-yl]-7-pyridin-4-yl-3H-imidazo[4,5-c]pyridine;5-[3-(7-pyridin-4-yl-3H-imidazo[4,5-c]pyridin-2-yl)-1H-indazol-5-yl]pyridin-3-amine;N-[5-[3-(7-pyridin-4-yl-3H-imidazo[4,5-c]pyridin-2-yl)-1H-indazol-5-yl]-3-pyridinyl]propanamide;7-pyridin-4-yl-2-(5-pyridin-3-yl-1H-indazol-3-yl)-3H-imidazo[4,5-c]pyridine (CID 157052806) is 3-methyl-N-[5-[3-(7-pyridin-4-yl-3H-imidazo[4,5-c]pyridin-2-yl)-1H-indazol-5-yl]-3-pyridinyl]butanamide;2-[5-(4-methyl-3-pyridinyl)-1H-indazol-3-yl]-7-pyridin-4-yl-3H-imidazo[4,5-c]pyridine;5-[3-(7-pyridin-4-yl-3H-imidazo[4,5-c]pyridin-2-yl)-1H-indazol-5-yl]pyridin-3-amine;N-[5-[3-(7-pyridin-4-yl-3H-imidazo[4,5-c]pyridin-2-yl)-1H-indazol-5-yl]-3-pyridinyl]propanamide;7-pyridin-4-yl-2-(5-pyridin-3-yl-1H-indazol-3-yl)-3H-imidazo[4,5-c]pyridine.
What is the SMILES notation for 3-methyl-N-[5-[3-(7-pyridin-4-yl-3H-imidazo[4,5-c]pyridin-2-yl)-1H-indazol-5-yl]-3-pyridinyl]butanamide;2-[5-(4-methyl-3-pyridinyl)-1H-indazol-3-yl]-7-pyridin-4-yl-3H-imidazo[4,5-c]pyridine;5-[3-(7-pyridin-4-yl-3H-imidazo[4,5-c]pyridin-2-yl)-1H-indazol-5-yl]pyridin-3-amine;N-[5-[3-(7-pyridin-4-yl-3H-imidazo[4,5-c]pyridin-2-yl)-1H-indazol-5-yl]-3-pyridinyl]propanamide;7-pyridin-4-yl-2-(5-pyridin-3-yl-1H-indazol-3-yl)-3H-imidazo[4,5-c]pyridine?
The canonical SMILES for 3-methyl-N-[5-[3-(7-pyridin-4-yl-3H-imidazo[4,5-c]pyridin-2-yl)-1H-indazol-5-yl]-3-pyridinyl]butanamide;2-[5-(4-methyl-3-pyridinyl)-1H-indazol-3-yl]-7-pyridin-4-yl-3H-imidazo[4,5-c]pyridine;5-[3-(7-pyridin-4-yl-3H-imidazo[4,5-c]pyridin-2-yl)-1H-indazol-5-yl]pyridin-3-amine;N-[5-[3-(7-pyridin-4-yl-3H-imidazo[4,5-c]pyridin-2-yl)-1H-indazol-5-yl]-3-pyridinyl]propanamide;7-pyridin-4-yl-2-(5-pyridin-3-yl-1H-indazol-3-yl)-3H-imidazo[4,5-c]pyridine is CC(C)CC(=O)Nc1cncc(-c2ccc3[nH]nc(-c4nc5c(-c6ccncc6)cncc5[nH]4)c3c2)c1.CCC(=O)Nc1cncc(-c2ccc3[nH]nc(-c4nc5c(-c6ccncc6)cncc5[nH]4)c3c2)c1.Cc1ccncc1-c1ccc2[nH]nc(-c3nc4c(-c5ccncc5)cncc4[nH]3)c2c1.Nc1cncc(-c2ccc3[nH]nc(-c4nc5c(-c6ccncc6)cncc5[nH]4)c3c2)c1.c1cncc(-c2ccc3[nH]nc(-c4nc5c(-c6ccncc6)cncc5[nH]4)c3c2)c1.
What is the InChIKey of 3-methyl-N-[5-[3-(7-pyridin-4-yl-3H-imidazo[4,5-c]pyridin-2-yl)-1H-indazol-5-yl]-3-pyridinyl]butanamide;2-[5-(4-methyl-3-pyridinyl)-1H-indazol-3-yl]-7-pyridin-4-yl-3H-imidazo[4,5-c]pyridine;5-[3-(7-pyridin-4-yl-3H-imidazo[4,5-c]pyridin-2-yl)-1H-indazol-5-yl]pyridin-3-amine;N-[5-[3-(7-pyridin-4-yl-3H-imidazo[4,5-c]pyridin-2-yl)-1H-indazol-5-yl]-3-pyridinyl]propanamide;7-pyridin-4-yl-2-(5-pyridin-3-yl-1H-indazol-3-yl)-3H-imidazo[4,5-c]pyridine?
The InChIKey is AAKFTCVFOMTWBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H24N8O.C26H20N8O.C24H17N7.C23H16N8.C23H15N7/c1-16(2)9-25(37)32-20-10-19(12-30-13-20)18-3-4-23-21(11-18)27(36-35-23)28-33-24-15-31-14-22(26(24)34-28)17-5-7-29-8-6-17;1-2-23(35)30-18-9-17(11-28-12-18)16-3-4-21-19(10-16)25(34-33-21)26-31-22-14-29-13-20(24(22)32-26)15-5-7-27-8-6-15;1-14-4-7-26-11-18(14)16-2-3-20-17(10-16)23(31-30-20)24-28-21-13-27-12-19(22(21)29-24)15-5-8-25-9-6-15;24-16-7-15(9-26-10-16)14-1-2-19-17(8-14)22(31-30-19)23-28-20-12-27-11-18(21(20)29-23)13-3-5-25-6-4-13;1-2-16(11-25-7-1)15-3-4-19-17(10-15)22(30-29-19)23-27-20-13-26-12-18(21(20)28-23)14-5-8-24-9-6-14/h3-8,10-16H,9H2,1-2H3,(H,32,37)(H,33,34)(H,35,36);3-14H,2H2,1H3,(H,30,35)(H,31,32)(H,33,34);2-13H,1H3,(H,28,29)(H,30,31);1-12H,24H2,(H,28,29)(H,30,31);1-13H,(H,27,28)(H,29,30).
What are the key properties of 3-methyl-N-[5-[3-(7-pyridin-4-yl-3H-imidazo[4,5-c]pyridin-2-yl)-1H-indazol-5-yl]-3-pyridinyl]butanamide;2-[5-(4-methyl-3-pyridinyl)-1H-indazol-3-yl]-7-pyridin-4-yl-3H-imidazo[4,5-c]pyridine;5-[3-(7-pyridin-4-yl-3H-imidazo[4,5-c]pyridin-2-yl)-1H-indazol-5-yl]pyridin-3-amine;N-[5-[3-(7-pyridin-4-yl-3H-imidazo[4,5-c]pyridin-2-yl)-1H-indazol-5-yl]-3-pyridinyl]propanamide;7-pyridin-4-yl-2-(5-pyridin-3-yl-1H-indazol-3-yl)-3H-imidazo[4,5-c]pyridine?
3-methyl-N-[5-[3-(7-pyridin-4-yl-3H-imidazo[4,5-c]pyridin-2-yl)-1H-indazol-5-yl]-3-pyridinyl]butanamide;2-[5-(4-methyl-3-pyridinyl)-1H-indazol-3-yl]-7-pyridin-4-yl-3H-imidazo[4,5-c]pyridine;5-[3-(7-pyridin-4-yl-3H-imidazo[4,5-c]pyridin-2-yl)-1H-indazol-5-yl]pyridin-3-amine;N-[5-[3-(7-pyridin-4-yl-3H-imidazo[4,5-c]pyridin-2-yl)-1H-indazol-5-yl]-3-pyridinyl]propanamide;7-pyridin-4-yl-2-(5-pyridin-3-yl-1H-indazol-3-yl)-3H-imidazo[4,5-c]pyridine has a molecular weight of 2146.36 g/mol, XLogP of 24.35, 20 rotatable bonds, 13 hydrogen bond donors, and 28 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-[5-[3-(7-pyridin-4-yl-3H-imidazo[4,5-c]pyridin-2-yl)-1H-indazol-5-yl]-3-pyridinyl]butanamide;2-[5-(4-methyl-3-pyridinyl)-1H-indazol-3-yl]-7-pyridin-4-yl-3H-imidazo[4,5-c]pyridine;5-[3-(7-pyridin-4-yl-3H-imidazo[4,5-c]pyridin-2-yl)-1H-indazol-5-yl]pyridin-3-amine;N-[5-[3-(7-pyridin-4-yl-3H-imidazo[4,5-c]pyridin-2-yl)-1H-indazol-5-yl]-3-pyridinyl]propanamide;7-pyridin-4-yl-2-(5-pyridin-3-yl-1H-indazol-3-yl)-3H-imidazo[4,5-c]pyridine is sourced from PubChem (CID 157052806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).
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Sources
- PubChem CID 157052806 — identifiers, structure, computed properties (public domain)
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