5-[5-(4-fluorophenyl)-6-(1-methoxy-2-methylpropan-2-yl)-1H-pyrrolo[2,3-f]indazol-7-yl]-6-methoxypyridine-2-carboxamide;2-[4-[5-(4-fluorophenyl)-6-(1-methoxy-2-methylpropan-2-yl)-1H-pyrrolo[2,3-f]indazol-7-yl]-3-methylpyrazol-1-yl]acetic acid;2-[4-[5-(4-fluorophenyl)-6-(1-methoxy-2-methylpropan-2-yl)-1H-pyrrolo[2,3-f]indazol-7-yl]pyrazol-1-yl]-2-methylpropanamide

C80H81F3N16O8 — CID 157241017

About 5-[5-(4-fluorophenyl)-6-(1-methoxy-2-methylpropan-2-yl)-1H-pyrrolo[2,3-f]indazol-7-yl]-6-methoxypyridine-2-carboxamide;2-[4-[5-(4-fluorophenyl)-6-(1-methoxy-2-methylpropan-2-yl)-1H-pyrrolo[2,3-f]indazol-7-yl]-3-methylpyrazol-1-yl]acetic acid;2-[4-[5-(4-fluorophenyl)-6-(1-methoxy-2-methylpropan-2-yl)-1H-pyrrolo[2,3-f]indazol-7-yl]pyrazol-1-yl]-2-methylpropanamide

5-[5-(4-fluorophenyl)-6-(1-methoxy-2-methylpropan-2-yl)-1H-pyrrolo[2,3-f]indazol-7-yl]-6-methoxypyridine-2-carboxamide;2-[4-[5-(4-fluorophenyl)-6-(1-methoxy-2-methylpropan-2-yl)-1H-pyrrolo[2,3-f]indazol-7-yl]-3-methylpyrazol-1-yl]acetic acid;2-[4-[5-(4-fluorophenyl)-6-(1-methoxy-2-methylpropan-2-yl)-1H-pyrrolo[2,3-f]indazol-7-yl]pyrazol-1-yl]-2-methylpropanamide (PubChem CID 157241017) has the molecular formula C80H81F3N16O8 and a molecular weight of 1451.63 g/mol. Its IUPAC name is 5-[5-(4-fluorophenyl)-6-(1-methoxy-2-methylpropan-2-yl)-1H-pyrrolo[2,3-f]indazol-7-yl]-6-methoxypyridine-2-carboxamide;2-[4-[5-(4-fluorophenyl)-6-(1-methoxy-2-methylpropan-2-yl)-1H-pyrrolo[2,3-f]indazol-7-yl]-3-methylpyrazol-1-yl]acetic acid;2-[4-[5-(4-fluorophenyl)-6-(1-methoxy-2-methylpropan-2-yl)-1H-pyrrolo[2,3-f]indazol-7-yl]pyrazol-1-yl]-2-methylpropanamide.

Molecular Properties

• Compound Name: 5-[5-(4-fluorophenyl)-6-(1-methoxy-2-methylpropan-2-yl)-1H-pyrrolo[2,3-f]indazol-7-yl]-6-methoxypyridine-2-carboxamide;2-[4-[5-(4-fluorophenyl)-6-(1-methoxy-2-methylpropan-2-yl)-1H-pyrrolo[2,3-f]indazol-7-yl]-3-methylpyrazol-1-yl]acetic acid;2-[4-[5-(4-fluorophenyl)-6-(1-methoxy-2-methylpropan-2-yl)-1H-pyrrolo[2,3-f]indazol-7-yl]pyrazol-1-yl]-2-methylpropanamide
• PubChem CID: 157241017
• Molecular Formula: C80H81F3N16O8
• Molecular Weight: 1451.63 g/mol
• Exact Mass: 1450.64
• IUPAC Name: 5-[5-(4-fluorophenyl)-6-(1-methoxy-2-methylpropan-2-yl)-1H-pyrrolo[2,3-f]indazol-7-yl]-6-methoxypyridine-2-carboxamide;2-[4-[5-(4-fluorophenyl)-6-(1-methoxy-2-methylpropan-2-yl)-1H-pyrrolo[2,3-f]indazol-7-yl]-3-methylpyrazol-1-yl]acetic acid;2-[4-[5-(4-fluorophenyl)-6-(1-methoxy-2-methylpropan-2-yl)-1H-pyrrolo[2,3-f]indazol-7-yl]pyrazol-1-yl]-2-methylpropanamide
• SMILES: COCC(C)(C)c1c(-c2ccc(C(N)=O)nc2OC)c2cc3[nH]ncc3cc2n1-c1ccc(F)cc1.COCC(C)(C)c1c(-c2cn(CC(=O)O)nc2C)c2cc3[nH]ncc3cc2n1-c1ccc(F)cc1.COCC(C)(C)c1c(-c2cnn(C(C)(C)C(N)=O)c2)c2cc3[nH]ncc3cc2n1-c1ccc(F)cc1
• InChI: InChI=1S/C27H29FN6O2.C27H26FN5O3.C26H26FN5O3/c1-26(2,15-36-5)24-23(17-13-31-33(14-17)27(3,4)25(29)35)20-11-21-16(12-30-32-21)10-22(20)34(24)19-8-6-18(28)7-9-19;1-27(2,14-35-3)24-23(18-9-10-20(25(29)34)31-26(18)36-4)19-12-21-15(13-30-32-21)11-22(19)33(24)17-7-5-16(28)6-8-17;1-15-20(12-31(30-15)13-23(33)34)24-19-10-21-16(11-28-29-21)9-22(19)32(18-7-5-17(27)6-8-18)25(24)26(2,3)14-35-4/h6-14H,15H2,1-5H3,(H2,29,35)(H,30,32);5-13H,14H2,1-4H3,(H2,29,34)(H,30,32);5-12H,13-14H2,1-4H3,(H,28,29)(H,33,34)
• InChIKey: AVFGXBMIDMLOSD-UHFFFAOYSA-N
• XLogP: 14.22
• TPSA: 309.76 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 18
• Rotatable Bonds: 21
• Heavy Atoms: 107
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1451.63
LogP ≤ 5	14.22
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	18

Frequently Asked Questions

What is the IUPAC name of 5-[5-(4-fluorophenyl)-6-(1-methoxy-2-methylpropan-2-yl)-1H-pyrrolo[2,3-f]indazol-7-yl]-6-methoxypyridine-2-carboxamide;2-[4-[5-(4-fluorophenyl)-6-(1-methoxy-2-methylpropan-2-yl)-1H-pyrrolo[2,3-f]indazol-7-yl]-3-methylpyrazol-1-yl]acetic acid;2-[4-[5-(4-fluorophenyl)-6-(1-methoxy-2-methylpropan-2-yl)-1H-pyrrolo[2,3-f]indazol-7-yl]pyrazol-1-yl]-2-methylpropanamide?

The IUPAC name of 5-[5-(4-fluorophenyl)-6-(1-methoxy-2-methylpropan-2-yl)-1H-pyrrolo[2,3-f]indazol-7-yl]-6-methoxypyridine-2-carboxamide;2-[4-[5-(4-fluorophenyl)-6-(1-methoxy-2-methylpropan-2-yl)-1H-pyrrolo[2,3-f]indazol-7-yl]-3-methylpyrazol-1-yl]acetic acid;2-[4-[5-(4-fluorophenyl)-6-(1-methoxy-2-methylpropan-2-yl)-1H-pyrrolo[2,3-f]indazol-7-yl]pyrazol-1-yl]-2-methylpropanamide (CID 157241017) is 5-[5-(4-fluorophenyl)-6-(1-methoxy-2-methylpropan-2-yl)-1H-pyrrolo[2,3-f]indazol-7-yl]-6-methoxypyridine-2-carboxamide;2-[4-[5-(4-fluorophenyl)-6-(1-methoxy-2-methylpropan-2-yl)-1H-pyrrolo[2,3-f]indazol-7-yl]-3-methylpyrazol-1-yl]acetic acid;2-[4-[5-(4-fluorophenyl)-6-(1-methoxy-2-methylpropan-2-yl)-1H-pyrrolo[2,3-f]indazol-7-yl]pyrazol-1-yl]-2-methylpropanamide.

What is the SMILES notation for 5-[5-(4-fluorophenyl)-6-(1-methoxy-2-methylpropan-2-yl)-1H-pyrrolo[2,3-f]indazol-7-yl]-6-methoxypyridine-2-carboxamide;2-[4-[5-(4-fluorophenyl)-6-(1-methoxy-2-methylpropan-2-yl)-1H-pyrrolo[2,3-f]indazol-7-yl]-3-methylpyrazol-1-yl]acetic acid;2-[4-[5-(4-fluorophenyl)-6-(1-methoxy-2-methylpropan-2-yl)-1H-pyrrolo[2,3-f]indazol-7-yl]pyrazol-1-yl]-2-methylpropanamide?

The canonical SMILES for 5-[5-(4-fluorophenyl)-6-(1-methoxy-2-methylpropan-2-yl)-1H-pyrrolo[2,3-f]indazol-7-yl]-6-methoxypyridine-2-carboxamide;2-[4-[5-(4-fluorophenyl)-6-(1-methoxy-2-methylpropan-2-yl)-1H-pyrrolo[2,3-f]indazol-7-yl]-3-methylpyrazol-1-yl]acetic acid;2-[4-[5-(4-fluorophenyl)-6-(1-methoxy-2-methylpropan-2-yl)-1H-pyrrolo[2,3-f]indazol-7-yl]pyrazol-1-yl]-2-methylpropanamide is COCC(C)(C)c1c(-c2ccc(C(N)=O)nc2OC)c2cc3[nH]ncc3cc2n1-c1ccc(F)cc1.COCC(C)(C)c1c(-c2cn(CC(=O)O)nc2C)c2cc3[nH]ncc3cc2n1-c1ccc(F)cc1.COCC(C)(C)c1c(-c2cnn(C(C)(C)C(N)=O)c2)c2cc3[nH]ncc3cc2n1-c1ccc(F)cc1.

What is the InChIKey of 5-[5-(4-fluorophenyl)-6-(1-methoxy-2-methylpropan-2-yl)-1H-pyrrolo[2,3-f]indazol-7-yl]-6-methoxypyridine-2-carboxamide;2-[4-[5-(4-fluorophenyl)-6-(1-methoxy-2-methylpropan-2-yl)-1H-pyrrolo[2,3-f]indazol-7-yl]-3-methylpyrazol-1-yl]acetic acid;2-[4-[5-(4-fluorophenyl)-6-(1-methoxy-2-methylpropan-2-yl)-1H-pyrrolo[2,3-f]indazol-7-yl]pyrazol-1-yl]-2-methylpropanamide?

The InChIKey is AVFGXBMIDMLOSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H29FN6O2.C27H26FN5O3.C26H26FN5O3/c1-26(2,15-36-5)24-23(17-13-31-33(14-17)27(3,4)25(29)35)20-11-21-16(12-30-32-21)10-22(20)34(24)19-8-6-18(28)7-9-19;1-27(2,14-35-3)24-23(18-9-10-20(25(29)34)31-26(18)36-4)19-12-21-15(13-30-32-21)11-22(19)33(24)17-7-5-16(28)6-8-17;1-15-20(12-31(30-15)13-23(33)34)24-19-10-21-16(11-28-29-21)9-22(19)32(18-7-5-17(27)6-8-18)25(24)26(2,3)14-35-4/h6-14H,15H2,1-5H3,(H2,29,35)(H,30,32);5-13H,14H2,1-4H3,(H2,29,34)(H,30,32);5-12H,13-14H2,1-4H3,(H,28,29)(H,33,34).

What are the key properties of 5-[5-(4-fluorophenyl)-6-(1-methoxy-2-methylpropan-2-yl)-1H-pyrrolo[2,3-f]indazol-7-yl]-6-methoxypyridine-2-carboxamide;2-[4-[5-(4-fluorophenyl)-6-(1-methoxy-2-methylpropan-2-yl)-1H-pyrrolo[2,3-f]indazol-7-yl]-3-methylpyrazol-1-yl]acetic acid;2-[4-[5-(4-fluorophenyl)-6-(1-methoxy-2-methylpropan-2-yl)-1H-pyrrolo[2,3-f]indazol-7-yl]pyrazol-1-yl]-2-methylpropanamide?

5-[5-(4-fluorophenyl)-6-(1-methoxy-2-methylpropan-2-yl)-1H-pyrrolo[2,3-f]indazol-7-yl]-6-methoxypyridine-2-carboxamide;2-[4-[5-(4-fluorophenyl)-6-(1-methoxy-2-methylpropan-2-yl)-1H-pyrrolo[2,3-f]indazol-7-yl]-3-methylpyrazol-1-yl]acetic acid;2-[4-[5-(4-fluorophenyl)-6-(1-methoxy-2-methylpropan-2-yl)-1H-pyrrolo[2,3-f]indazol-7-yl]pyrazol-1-yl]-2-methylpropanamide has a molecular weight of 1451.63 g/mol, XLogP of 14.22, 21 rotatable bonds, 6 hydrogen bond donors, and 18 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[5-(4-fluorophenyl)-6-(1-methoxy-2-methylpropan-2-yl)-1H-pyrrolo[2,3-f]indazol-7-yl]-6-methoxypyridine-2-carboxamide;2-[4-[5-(4-fluorophenyl)-6-(1-methoxy-2-methylpropan-2-yl)-1H-pyrrolo[2,3-f]indazol-7-yl]-3-methylpyrazol-1-yl]acetic acid;2-[4-[5-(4-fluorophenyl)-6-(1-methoxy-2-methylpropan-2-yl)-1H-pyrrolo[2,3-f]indazol-7-yl]pyrazol-1-yl]-2-methylpropanamide is sourced from PubChem (CID 157241017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).