N-[(1R)-1-(3-chlorophenyl)ethyl]-7-pyridin-4-yl-3,5-dihydropyrrolo[3,4-f]indole-2-carboxamide;N-[(1R)-1-(3-chlorophenyl)ethyl]-3-pyridin-4-yl-1-trityl-7H-pyrrolo[2,3-f]indazole-6-carboxamide

C66H51Cl2N9O2 — CID 160653911

About N-[(1R)-1-(3-chlorophenyl)ethyl]-7-pyridin-4-yl-3,5-dihydropyrrolo[3,4-f]indole-2-carboxamide;N-[(1R)-1-(3-chlorophenyl)ethyl]-3-pyridin-4-yl-1-trityl-7H-pyrrolo[2,3-f]indazole-6-carboxamide

N-[(1R)-1-(3-chlorophenyl)ethyl]-7-pyridin-4-yl-3,5-dihydropyrrolo[3,4-f]indole-2-carboxamide;N-[(1R)-1-(3-chlorophenyl)ethyl]-3-pyridin-4-yl-1-trityl-7H-pyrrolo[2,3-f]indazole-6-carboxamide (PubChem CID 160653911) has the molecular formula C66H51Cl2N9O2 and a molecular weight of 1073.10 g/mol. Its IUPAC name is N-[(1R)-1-(3-chlorophenyl)ethyl]-7-pyridin-4-yl-3,5-dihydropyrrolo[3,4-f]indole-2-carboxamide;N-[(1R)-1-(3-chlorophenyl)ethyl]-3-pyridin-4-yl-1-trityl-7H-pyrrolo[2,3-f]indazole-6-carboxamide.

Molecular Properties

• Compound Name: N-[(1R)-1-(3-chlorophenyl)ethyl]-7-pyridin-4-yl-3,5-dihydropyrrolo[3,4-f]indole-2-carboxamide;N-[(1R)-1-(3-chlorophenyl)ethyl]-3-pyridin-4-yl-1-trityl-7H-pyrrolo[2,3-f]indazole-6-carboxamide
• PubChem CID: 160653911
• Molecular Formula: C66H51Cl2N9O2
• Molecular Weight: 1073.10 g/mol
• Exact Mass: 1071.35
• IUPAC Name: N-[(1R)-1-(3-chlorophenyl)ethyl]-7-pyridin-4-yl-3,5-dihydropyrrolo[3,4-f]indole-2-carboxamide;N-[(1R)-1-(3-chlorophenyl)ethyl]-3-pyridin-4-yl-1-trityl-7H-pyrrolo[2,3-f]indazole-6-carboxamide
• SMILES: C[C@@H](NC(=O)C1=Nc2cc3c(-c4ccncc4)nn(C(c4ccccc4)(c4ccccc4)c4ccccc4)c3cc2C1)c1cccc(Cl)c1.C[C@@H](NC(=O)C1=Nc2cc3c(cc2C1)CN=C3c1ccncc1)c1cccc(Cl)c1
• InChI: InChI=1S/C42H32ClN5O.C24H19ClN4O/c1-28(30-12-11-19-35(43)24-30)45-41(49)38-25-31-26-39-36(27-37(31)46-38)40(29-20-22-44-23-21-29)47-48(39)42(32-13-5-2-6-14-32,33-15-7-3-8-16-33)34-17-9-4-10-18-34;1-14(16-3-2-4-19(25)10-16)28-24(30)22-11-17-9-18-13-27-23(15-5-7-26-8-6-15)20(18)12-21(17)29-22/h2-24,26-28H,25H2,1H3,(H,45,49);2-10,12,14H,11,13H2,1H3,(H,28,30)/t28-;14-/m11/s1
• InChIKey: RKUGPYQBNLSIRI-OCDNXWDKSA-N
• XLogP: 13.69
• TPSA: 138.88 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 9
• Rotatable Bonds: 12
• Heavy Atoms: 79
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1073.10
LogP ≤ 5	13.69
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	9

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-(3-chlorophenyl)ethyl]-7-pyridin-4-yl-3,5-dihydropyrrolo[3,4-f]indole-2-carboxamide;N-[(1R)-1-(3-chlorophenyl)ethyl]-3-pyridin-4-yl-1-trityl-7H-pyrrolo[2,3-f]indazole-6-carboxamide?

The IUPAC name of N-[(1R)-1-(3-chlorophenyl)ethyl]-7-pyridin-4-yl-3,5-dihydropyrrolo[3,4-f]indole-2-carboxamide;N-[(1R)-1-(3-chlorophenyl)ethyl]-3-pyridin-4-yl-1-trityl-7H-pyrrolo[2,3-f]indazole-6-carboxamide (CID 160653911) is N-[(1R)-1-(3-chlorophenyl)ethyl]-7-pyridin-4-yl-3,5-dihydropyrrolo[3,4-f]indole-2-carboxamide;N-[(1R)-1-(3-chlorophenyl)ethyl]-3-pyridin-4-yl-1-trityl-7H-pyrrolo[2,3-f]indazole-6-carboxamide.

What is the SMILES notation for N-[(1R)-1-(3-chlorophenyl)ethyl]-7-pyridin-4-yl-3,5-dihydropyrrolo[3,4-f]indole-2-carboxamide;N-[(1R)-1-(3-chlorophenyl)ethyl]-3-pyridin-4-yl-1-trityl-7H-pyrrolo[2,3-f]indazole-6-carboxamide?

The canonical SMILES for N-[(1R)-1-(3-chlorophenyl)ethyl]-7-pyridin-4-yl-3,5-dihydropyrrolo[3,4-f]indole-2-carboxamide;N-[(1R)-1-(3-chlorophenyl)ethyl]-3-pyridin-4-yl-1-trityl-7H-pyrrolo[2,3-f]indazole-6-carboxamide is C[C@@H](NC(=O)C1=Nc2cc3c(-c4ccncc4)nn(C(c4ccccc4)(c4ccccc4)c4ccccc4)c3cc2C1)c1cccc(Cl)c1.C[C@@H](NC(=O)C1=Nc2cc3c(cc2C1)CN=C3c1ccncc1)c1cccc(Cl)c1.

What is the InChIKey of N-[(1R)-1-(3-chlorophenyl)ethyl]-7-pyridin-4-yl-3,5-dihydropyrrolo[3,4-f]indole-2-carboxamide;N-[(1R)-1-(3-chlorophenyl)ethyl]-3-pyridin-4-yl-1-trityl-7H-pyrrolo[2,3-f]indazole-6-carboxamide?

The InChIKey is RKUGPYQBNLSIRI-OCDNXWDKSA-N. The full InChI is InChI=1S/C42H32ClN5O.C24H19ClN4O/c1-28(30-12-11-19-35(43)24-30)45-41(49)38-25-31-26-39-36(27-37(31)46-38)40(29-20-22-44-23-21-29)47-48(39)42(32-13-5-2-6-14-32,33-15-7-3-8-16-33)34-17-9-4-10-18-34;1-14(16-3-2-4-19(25)10-16)28-24(30)22-11-17-9-18-13-27-23(15-5-7-26-8-6-15)20(18)12-21(17)29-22/h2-24,26-28H,25H2,1H3,(H,45,49);2-10,12,14H,11,13H2,1H3,(H,28,30)/t28-;14-/m11/s1.

What are the key properties of N-[(1R)-1-(3-chlorophenyl)ethyl]-7-pyridin-4-yl-3,5-dihydropyrrolo[3,4-f]indole-2-carboxamide;N-[(1R)-1-(3-chlorophenyl)ethyl]-3-pyridin-4-yl-1-trityl-7H-pyrrolo[2,3-f]indazole-6-carboxamide?

N-[(1R)-1-(3-chlorophenyl)ethyl]-7-pyridin-4-yl-3,5-dihydropyrrolo[3,4-f]indole-2-carboxamide;N-[(1R)-1-(3-chlorophenyl)ethyl]-3-pyridin-4-yl-1-trityl-7H-pyrrolo[2,3-f]indazole-6-carboxamide has a molecular weight of 1073.10 g/mol, XLogP of 13.69, 12 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(1R)-1-(3-chlorophenyl)ethyl]-7-pyridin-4-yl-3,5-dihydropyrrolo[3,4-f]indole-2-carboxamide;N-[(1R)-1-(3-chlorophenyl)ethyl]-3-pyridin-4-yl-1-trityl-7H-pyrrolo[2,3-f]indazole-6-carboxamide is sourced from PubChem (CID 160653911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).