5-[1-(4-fluorophenyl)-2-(1-methoxy-2-methylpropan-2-yl)-5H-pyrrolo[3,4-f]indol-3-yl]-6-methoxypyridine-2-carboxamide;2-[4-[1-(4-fluorophenyl)-2-(1-methoxy-2-methylpropan-2-yl)-5H-pyrrolo[3,4-f]indol-3-yl]-3-methylpyrazol-1-yl]acetic acid;4-[2-[4-[1-(4-fluorophenyl)-2-(1-methoxy-2-methylpropan-2-yl)-5H-pyrrolo[3,4-f]indol-3-yl]phenyl]-2-oxoethyl]pyrrolidin-2-one;2-[4-[1-(4-fluorophenyl)-2-(1-methoxy-2-methylpropan-2-yl)-5H-pyrrolo[3,4-f]indol-3-yl]pyrazol-1-yl]-2-methylpropanamide

C116H116F4N16O11 — CID 157467553

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

5-[1-(4-fluorophenyl)-2-(1-methoxy-2-methylpropan-2-yl)-5H-pyrrolo[3,4-f]indol-3-yl]-6-methoxypyridine-2-carboxamide;2-[4-[1-(4-fluorophenyl)-2-(1-methoxy-2-methylpropan-2-yl)-5H-pyrrolo[3,4-f]indol-3-yl]-3-methylpyrazol-1-yl]acetic acid;4-[2-[4-[1-(4-fluorophenyl)-2-(1-methoxy-2-methylpropan-2-yl)-5H-pyrrolo[3,4-f]indol-3-yl]phenyl]-2-oxoethyl]pyrrolidin-2-one;2-[4-[1-(4-fluorophenyl)-2-(1-methoxy-2-methylpropan-2-yl)-5H-pyrrolo[3,4-f]indol-3-yl]pyrazol-1-yl]-2-methylpropanamide (PubChem CID 157467553) has the molecular formula C116H116F4N16O11 and a molecular weight of 1986.30 g/mol. Its IUPAC name is 5-[1-(4-fluorophenyl)-2-(1-methoxy-2-methylpropan-2-yl)-5H-pyrrolo[3,4-f]indol-3-yl]-6-methoxypyridine-2-carboxamide;2-[4-[1-(4-fluorophenyl)-2-(1-methoxy-2-methylpropan-2-yl)-5H-pyrrolo[3,4-f]indol-3-yl]-3-methylpyrazol-1-yl]acetic acid;4-[2-[4-[1-(4-fluorophenyl)-2-(1-methoxy-2-methylpropan-2-yl)-5H-pyrrolo[3,4-f]indol-3-yl]phenyl]-2-oxoethyl]pyrrolidin-2-one;2-[4-[1-(4-fluorophenyl)-2-(1-methoxy-2-methylpropan-2-yl)-5H-pyrrolo[3,4-f]indol-3-yl]pyrazol-1-yl]-2-methylpropanamide.

Molecular Properties

• Compound Name: 5-[1-(4-fluorophenyl)-2-(1-methoxy-2-methylpropan-2-yl)-5H-pyrrolo[3,4-f]indol-3-yl]-6-methoxypyridine-2-carboxamide;2-[4-[1-(4-fluorophenyl)-2-(1-methoxy-2-methylpropan-2-yl)-5H-pyrrolo[3,4-f]indol-3-yl]-3-methylpyrazol-1-yl]acetic acid;4-[2-[4-[1-(4-fluorophenyl)-2-(1-methoxy-2-methylpropan-2-yl)-5H-pyrrolo[3,4-f]indol-3-yl]phenyl]-2-oxoethyl]pyrrolidin-2-one;2-[4-[1-(4-fluorophenyl)-2-(1-methoxy-2-methylpropan-2-yl)-5H-pyrrolo[3,4-f]indol-3-yl]pyrazol-1-yl]-2-methylpropanamide
• PubChem CID: 157467553
• Molecular Formula: C116H116F4N16O11
• Molecular Weight: 1986.30 g/mol
• Exact Mass: 1984.89
• IUPAC Name: 5-[1-(4-fluorophenyl)-2-(1-methoxy-2-methylpropan-2-yl)-5H-pyrrolo[3,4-f]indol-3-yl]-6-methoxypyridine-2-carboxamide;2-[4-[1-(4-fluorophenyl)-2-(1-methoxy-2-methylpropan-2-yl)-5H-pyrrolo[3,4-f]indol-3-yl]-3-methylpyrazol-1-yl]acetic acid;4-[2-[4-[1-(4-fluorophenyl)-2-(1-methoxy-2-methylpropan-2-yl)-5H-pyrrolo[3,4-f]indol-3-yl]phenyl]-2-oxoethyl]pyrrolidin-2-one;2-[4-[1-(4-fluorophenyl)-2-(1-methoxy-2-methylpropan-2-yl)-5H-pyrrolo[3,4-f]indol-3-yl]pyrazol-1-yl]-2-methylpropanamide
• SMILES: COCC(C)(C)c1c(-c2ccc(C(=O)CC3CNC(=O)C3)cc2)c2cc3c(cc2n1-c1ccc(F)cc1)C=NC3.COCC(C)(C)c1c(-c2ccc(C(N)=O)nc2OC)c2cc3c(cc2n1-c1ccc(F)cc1)C=NC3.COCC(C)(C)c1c(-c2cn(CC(=O)O)nc2C)c2cc3c(cc2n1-c1ccc(F)cc1)C=NC3.COCC(C)(C)c1c(-c2cnn(C(C)(C)C(N)=O)c2)c2cc3c(cc2n1-c1ccc(F)cc1)C=NC3
• InChI: InChI=1S/C33H32FN3O3.C28H30FN5O2.C28H27FN4O3.C27H27FN4O3/c1-33(2,19-40-3)32-31(22-6-4-21(5-7-22)29(38)12-20-13-30(39)36-16-20)27-14-23-17-35-18-24(23)15-28(27)37(32)26-10-8-25(34)9-11-26;1-27(2,16-36-5)25-24(19-14-32-33(15-19)28(3,4)26(30)35)22-10-17-12-31-13-18(17)11-23(22)34(25)21-8-6-20(29)7-9-21;1-28(2,15-35-3)25-24(20-9-10-22(26(30)34)32-27(20)36-4)21-11-16-13-31-14-17(16)12-23(21)33(25)19-7-5-18(29)6-8-19;1-16-22(13-31(30-16)14-24(33)34)25-21-9-17-11-29-12-18(17)10-23(21)32(20-7-5-19(28)6-8-20)26(25)27(2,3)15-35-4/h4-11,14-15,18,20H,12-13,16-17,19H2,1-3H3,(H,36,39);6-11,13-15H,12,16H2,1-5H3,(H2,30,35);5-12,14H,13,15H2,1-4H3,(H2,30,34);5-10,12-13H,11,14-15H2,1-4H3,(H,33,34)
• InChIKey: BUQQNTMMVCBBHG-UHFFFAOYSA-N
• XLogP: 20.39
• TPSA: 333.49 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 23
• Rotatable Bonds: 29
• Heavy Atoms: 147
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1986.30
LogP ≤ 5	20.39
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	23

Frequently Asked Questions

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

The IUPAC name of 5-[1-(4-fluorophenyl)-2-(1-methoxy-2-methylpropan-2-yl)-5H-pyrrolo[3,4-f]indol-3-yl]-6-methoxypyridine-2-carboxamide;2-[4-[1-(4-fluorophenyl)-2-(1-methoxy-2-methylpropan-2-yl)-5H-pyrrolo[3,4-f]indol-3-yl]-3-methylpyrazol-1-yl]acetic acid;4-[2-[4-[1-(4-fluorophenyl)-2-(1-methoxy-2-methylpropan-2-yl)-5H-pyrrolo[3,4-f]indol-3-yl]phenyl]-2-oxoethyl]pyrrolidin-2-one;2-[4-[1-(4-fluorophenyl)-2-(1-methoxy-2-methylpropan-2-yl)-5H-pyrrolo[3,4-f]indol-3-yl]pyrazol-1-yl]-2-methylpropanamide (CID 157467553) is 5-[1-(4-fluorophenyl)-2-(1-methoxy-2-methylpropan-2-yl)-5H-pyrrolo[3,4-f]indol-3-yl]-6-methoxypyridine-2-carboxamide;2-[4-[1-(4-fluorophenyl)-2-(1-methoxy-2-methylpropan-2-yl)-5H-pyrrolo[3,4-f]indol-3-yl]-3-methylpyrazol-1-yl]acetic acid;4-[2-[4-[1-(4-fluorophenyl)-2-(1-methoxy-2-methylpropan-2-yl)-5H-pyrrolo[3,4-f]indol-3-yl]phenyl]-2-oxoethyl]pyrrolidin-2-one;2-[4-[1-(4-fluorophenyl)-2-(1-methoxy-2-methylpropan-2-yl)-5H-pyrrolo[3,4-f]indol-3-yl]pyrazol-1-yl]-2-methylpropanamide.

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

The canonical SMILES for 5-[1-(4-fluorophenyl)-2-(1-methoxy-2-methylpropan-2-yl)-5H-pyrrolo[3,4-f]indol-3-yl]-6-methoxypyridine-2-carboxamide;2-[4-[1-(4-fluorophenyl)-2-(1-methoxy-2-methylpropan-2-yl)-5H-pyrrolo[3,4-f]indol-3-yl]-3-methylpyrazol-1-yl]acetic acid;4-[2-[4-[1-(4-fluorophenyl)-2-(1-methoxy-2-methylpropan-2-yl)-5H-pyrrolo[3,4-f]indol-3-yl]phenyl]-2-oxoethyl]pyrrolidin-2-one;2-[4-[1-(4-fluorophenyl)-2-(1-methoxy-2-methylpropan-2-yl)-5H-pyrrolo[3,4-f]indol-3-yl]pyrazol-1-yl]-2-methylpropanamide is COCC(C)(C)c1c(-c2ccc(C(=O)CC3CNC(=O)C3)cc2)c2cc3c(cc2n1-c1ccc(F)cc1)C=NC3.COCC(C)(C)c1c(-c2ccc(C(N)=O)nc2OC)c2cc3c(cc2n1-c1ccc(F)cc1)C=NC3.COCC(C)(C)c1c(-c2cn(CC(=O)O)nc2C)c2cc3c(cc2n1-c1ccc(F)cc1)C=NC3.COCC(C)(C)c1c(-c2cnn(C(C)(C)C(N)=O)c2)c2cc3c(cc2n1-c1ccc(F)cc1)C=NC3.

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

The InChIKey is BUQQNTMMVCBBHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H32FN3O3.C28H30FN5O2.C28H27FN4O3.C27H27FN4O3/c1-33(2,19-40-3)32-31(22-6-4-21(5-7-22)29(38)12-20-13-30(39)36-16-20)27-14-23-17-35-18-24(23)15-28(27)37(32)26-10-8-25(34)9-11-26;1-27(2,16-36-5)25-24(19-14-32-33(15-19)28(3,4)26(30)35)22-10-17-12-31-13-18(17)11-23(22)34(25)21-8-6-20(29)7-9-21;1-28(2,15-35-3)25-24(20-9-10-22(26(30)34)32-27(20)36-4)21-11-16-13-31-14-17(16)12-23(21)33(25)19-7-5-18(29)6-8-19;1-16-22(13-31(30-16)14-24(33)34)25-21-9-17-11-29-12-18(17)10-23(21)32(20-7-5-19(28)6-8-20)26(25)27(2,3)15-35-4/h4-11,14-15,18,20H,12-13,16-17,19H2,1-3H3,(H,36,39);6-11,13-15H,12,16H2,1-5H3,(H2,30,35);5-12,14H,13,15H2,1-4H3,(H2,30,34);5-10,12-13H,11,14-15H2,1-4H3,(H,33,34).

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

5-[1-(4-fluorophenyl)-2-(1-methoxy-2-methylpropan-2-yl)-5H-pyrrolo[3,4-f]indol-3-yl]-6-methoxypyridine-2-carboxamide;2-[4-[1-(4-fluorophenyl)-2-(1-methoxy-2-methylpropan-2-yl)-5H-pyrrolo[3,4-f]indol-3-yl]-3-methylpyrazol-1-yl]acetic acid;4-[2-[4-[1-(4-fluorophenyl)-2-(1-methoxy-2-methylpropan-2-yl)-5H-pyrrolo[3,4-f]indol-3-yl]phenyl]-2-oxoethyl]pyrrolidin-2-one;2-[4-[1-(4-fluorophenyl)-2-(1-methoxy-2-methylpropan-2-yl)-5H-pyrrolo[3,4-f]indol-3-yl]pyrazol-1-yl]-2-methylpropanamide has a molecular weight of 1986.30 g/mol, XLogP of 20.39, 29 rotatable bonds, 4 hydrogen bond donors, and 23 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[1-(4-fluorophenyl)-2-(1-methoxy-2-methylpropan-2-yl)-5H-pyrrolo[3,4-f]indol-3-yl]-6-methoxypyridine-2-carboxamide;2-[4-[1-(4-fluorophenyl)-2-(1-methoxy-2-methylpropan-2-yl)-5H-pyrrolo[3,4-f]indol-3-yl]-3-methylpyrazol-1-yl]acetic acid;4-[2-[4-[1-(4-fluorophenyl)-2-(1-methoxy-2-methylpropan-2-yl)-5H-pyrrolo[3,4-f]indol-3-yl]phenyl]-2-oxoethyl]pyrrolidin-2-one;2-[4-[1-(4-fluorophenyl)-2-(1-methoxy-2-methylpropan-2-yl)-5H-pyrrolo[3,4-f]indol-3-yl]pyrazol-1-yl]-2-methylpropanamide is sourced from PubChem (CID 157467553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).