3-[1-[(1R,4S)-4-[tert-butyl(dimethyl)silyl]oxycyclopent-2-en-1-yl]-2-chloroindol-3-yl]-4-(5-methoxy-1H-indol-3-yl)pyrrole-2,5-dione;3-[(1R,4S)-4-[tert-butyl(dimethyl)silyl]oxycyclopent-2-en-1-yl]-19-methoxy-3,13,23-triazahexacyclo[14.7.0.02,10.04,9.011,15.017,22]tricosa-1,4,6,8,10,15,17(22),18,20-nonaene-12,14-dione

C64H67ClN6O8Si2 — CID 157429148

IUPAC3-[1-[(1R,4S)-4-[tert-butyl(dimethyl)silyl]oxycyclopent-2-en-1-yl]-2-chloroindol-3-yl]-4-(5-methoxy-1H-indol-3-yl)pyrrole-2,5-dione;3-[(1R,4S)-4-[tert-butyl(dimethyl)silyl]oxycyclopent-2-en-1-yl]-19-methoxy-3,13,23-triazahexacyclo[14.7.0.02,10.04,9.011,15.017,22]tricosa-1,4,6,8,10,15,17(22),18,20-nonaene-12,14-dione
SMILESCOc1ccc2[nH]c3c(c4c(c5c6ccccc6n([C@H]6C=C[C@@H](O[Si](C)(C)C(C)(C)C)C6)c35)C(=O)NC4=O)c2c1.COc1ccc2[nH]cc(C3=C(c4c(Cl)n([C@H]5C=C[C@@H](O[Si](C)(C)C(C)(C)C)C5)c5ccccc45)C(=O)NC3=O)c2c1
InChIInChI=1S/C32H34ClN3O4Si.C32H33N3O4Si/c1-32(2,3)41(5,6)40-20-12-11-18(15-20)36-25-10-8-7-9-21(25)26(29(36)33)28-27(30(37)35-31(28)38)23-17-34-24-14-13-19(39-4)16-22(23)24;1-32(2,3)40(5,6)39-19-12-11-17(15-19)35-23-10-8-7-9-20(23)25-27-26(30(36)34-31(27)37)24-21-16-18(38-4)13-14-22(21)33-28(24)29(25)35/h7-14,16-18,20,34H,15H2,1-6H3,(H,35,37,38);7-14,16-17,19,33H,15H2,1-6H3,(H,34,36,37)/t18-,20+;17-,19+/m00/s1
InChIKeyBQIAECJHNQWPSX-CAAWYJROSA-N
MW1139.90 g/mol
LogP14.46
Rot. Bonds10

About 3-[1-[(1R,4S)-4-[tert-butyl(dimethyl)silyl]oxycyclopent-2-en-1-yl]-2-chloroindol-3-yl]-4-(5-methoxy-1H-indol-3-yl)pyrrole-2,5-dione;3-[(1R,4S)-4-[tert-butyl(dimethyl)silyl]oxycyclopent-2-en-1-yl]-19-methoxy-3,13,23-triazahexacyclo[14.7.0.02,10.04,9.011,15.017,22]tricosa-1,4,6,8,10,15,17(22),18,20-nonaene-12,14-dione

3-[1-[(1R,4S)-4-[tert-butyl(dimethyl)silyl]oxycyclopent-2-en-1-yl]-2-chloroindol-3-yl]-4-(5-methoxy-1H-indol-3-yl)pyrrole-2,5-dione;3-[(1R,4S)-4-[tert-butyl(dimethyl)silyl]oxycyclopent-2-en-1-yl]-19-methoxy-3,13,23-triazahexacyclo[14.7.0.02,10.04,9.011,15.017,22]tricosa-1,4,6,8,10,15,17(22),18,20-nonaene-12,14-dione (PubChem CID 157429148) has the molecular formula C64H67ClN6O8Si2 and a molecular weight of 1139.90 g/mol. Its IUPAC name is 3-[1-[(1R,4S)-4-[tert-butyl(dimethyl)silyl]oxycyclopent-2-en-1-yl]-2-chloroindol-3-yl]-4-(5-methoxy-1H-indol-3-yl)pyrrole-2,5-dione;3-[(1R,4S)-4-[tert-butyl(dimethyl)silyl]oxycyclopent-2-en-1-yl]-19-methoxy-3,13,23-triazahexacyclo[14.7.0.02,10.04,9.011,15.017,22]tricosa-1,4,6,8,10,15,17(22),18,20-nonaene-12,14-dione.

Molecular Properties

Compound Name3-[1-[(1R,4S)-4-[tert-butyl(dimethyl)silyl]oxycyclopent-2-en-1-yl]-2-chloroindol-3-yl]-4-(5-methoxy-1H-indol-3-yl)pyrrole-2,5-dione;3-[(1R,4S)-4-[tert-butyl(dimethyl)silyl]oxycyclopent-2-en-1-yl]-19-methoxy-3,13,23-triazahexacyclo[14.7.0.02,10.04,9.011,15.017,22]tricosa-1,4,6,8,10,15,17(22),18,20-nonaene-12,14-dione
PubChem CID157429148
Molecular FormulaC64H67ClN6O8Si2
Molecular Weight1139.90 g/mol
Exact Mass1138.42
IUPAC Name3-[1-[(1R,4S)-4-[tert-butyl(dimethyl)silyl]oxycyclopent-2-en-1-yl]-2-chloroindol-3-yl]-4-(5-methoxy-1H-indol-3-yl)pyrrole-2,5-dione;3-[(1R,4S)-4-[tert-butyl(dimethyl)silyl]oxycyclopent-2-en-1-yl]-19-methoxy-3,13,23-triazahexacyclo[14.7.0.02,10.04,9.011,15.017,22]tricosa-1,4,6,8,10,15,17(22),18,20-nonaene-12,14-dione
SMILESCOc1ccc2[nH]c3c(c4c(c5c6ccccc6n([C@H]6C=C[C@@H](O[Si](C)(C)C(C)(C)C)C6)c35)C(=O)NC4=O)c2c1.COc1ccc2[nH]cc(C3=C(c4c(Cl)n([C@H]5C=C[C@@H](O[Si](C)(C)C(C)(C)C)C5)c5ccccc45)C(=O)NC3=O)c2c1
InChIInChI=1S/C32H34ClN3O4Si.C32H33N3O4Si/c1-32(2,3)41(5,6)40-20-12-11-18(15-20)36-25-10-8-7-9-21(25)26(29(36)33)28-27(30(37)35-31(28)38)23-17-34-24-14-13-19(39-4)16-22(23)24;1-32(2,3)40(5,6)39-19-12-11-17(15-19)35-23-10-8-7-9-20(23)25-27-26(30(36)34-31(27)37)24-21-16-18(38-4)13-14-22(21)33-28(24)29(25)35/h7-14,16-18,20,34H,15H2,1-6H3,(H,35,37,38);7-14,16-17,19,33H,15H2,1-6H3,(H,34,36,37)/t18-,20+;17-,19+/m00/s1
InChIKeyBQIAECJHNQWPSX-CAAWYJROSA-N
XLogP14.46
TPSA170.70 Ų
H-Bond Donors4
H-Bond Acceptors10
Rotatable Bonds10
Heavy Atoms81
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001139.90
LogP ≤ 514.46
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

Analyze 3-[1-[(1R,4S)-4-[tert-butyl(dimethyl)silyl]oxycyclopent-2-en-1-yl]-2-chloroindol-3-yl]-4-(5-methoxy-1H-indol-3-yl)pyrrole-2,5-dione;3-[(1R,4S)-4-[tert-butyl(dimethyl)silyl]oxycyclopent-2-en-1-yl]-19-methoxy-3,13,23-triazahexacyclo[14.7.0.02,10.04,9.011,15.017,22]tricosa-1,4,6,8,10,15,17(22),18,20-nonaene-12,14-dione with MolForge

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Frequently Asked Questions

What is the IUPAC name of 3-[1-[(1R,4S)-4-[tert-butyl(dimethyl)silyl]oxycyclopent-2-en-1-yl]-2-chloroindol-3-yl]-4-(5-methoxy-1H-indol-3-yl)pyrrole-2,5-dione;3-[(1R,4S)-4-[tert-butyl(dimethyl)silyl]oxycyclopent-2-en-1-yl]-19-methoxy-3,13,23-triazahexacyclo[14.7.0.02,10.04,9.011,15.017,22]tricosa-1,4,6,8,10,15,17(22),18,20-nonaene-12,14-dione?
The IUPAC name of 3-[1-[(1R,4S)-4-[tert-butyl(dimethyl)silyl]oxycyclopent-2-en-1-yl]-2-chloroindol-3-yl]-4-(5-methoxy-1H-indol-3-yl)pyrrole-2,5-dione;3-[(1R,4S)-4-[tert-butyl(dimethyl)silyl]oxycyclopent-2-en-1-yl]-19-methoxy-3,13,23-triazahexacyclo[14.7.0.02,10.04,9.011,15.017,22]tricosa-1,4,6,8,10,15,17(22),18,20-nonaene-12,14-dione (CID 157429148) is 3-[1-[(1R,4S)-4-[tert-butyl(dimethyl)silyl]oxycyclopent-2-en-1-yl]-2-chloroindol-3-yl]-4-(5-methoxy-1H-indol-3-yl)pyrrole-2,5-dione;3-[(1R,4S)-4-[tert-butyl(dimethyl)silyl]oxycyclopent-2-en-1-yl]-19-methoxy-3,13,23-triazahexacyclo[14.7.0.02,10.04,9.011,15.017,22]tricosa-1,4,6,8,10,15,17(22),18,20-nonaene-12,14-dione.
What is the SMILES notation for 3-[1-[(1R,4S)-4-[tert-butyl(dimethyl)silyl]oxycyclopent-2-en-1-yl]-2-chloroindol-3-yl]-4-(5-methoxy-1H-indol-3-yl)pyrrole-2,5-dione;3-[(1R,4S)-4-[tert-butyl(dimethyl)silyl]oxycyclopent-2-en-1-yl]-19-methoxy-3,13,23-triazahexacyclo[14.7.0.02,10.04,9.011,15.017,22]tricosa-1,4,6,8,10,15,17(22),18,20-nonaene-12,14-dione?
The canonical SMILES for 3-[1-[(1R,4S)-4-[tert-butyl(dimethyl)silyl]oxycyclopent-2-en-1-yl]-2-chloroindol-3-yl]-4-(5-methoxy-1H-indol-3-yl)pyrrole-2,5-dione;3-[(1R,4S)-4-[tert-butyl(dimethyl)silyl]oxycyclopent-2-en-1-yl]-19-methoxy-3,13,23-triazahexacyclo[14.7.0.02,10.04,9.011,15.017,22]tricosa-1,4,6,8,10,15,17(22),18,20-nonaene-12,14-dione is COc1ccc2[nH]c3c(c4c(c5c6ccccc6n([C@H]6C=C[C@@H](O[Si](C)(C)C(C)(C)C)C6)c35)C(=O)NC4=O)c2c1.COc1ccc2[nH]cc(C3=C(c4c(Cl)n([C@H]5C=C[C@@H](O[Si](C)(C)C(C)(C)C)C5)c5ccccc45)C(=O)NC3=O)c2c1.
What is the InChIKey of 3-[1-[(1R,4S)-4-[tert-butyl(dimethyl)silyl]oxycyclopent-2-en-1-yl]-2-chloroindol-3-yl]-4-(5-methoxy-1H-indol-3-yl)pyrrole-2,5-dione;3-[(1R,4S)-4-[tert-butyl(dimethyl)silyl]oxycyclopent-2-en-1-yl]-19-methoxy-3,13,23-triazahexacyclo[14.7.0.02,10.04,9.011,15.017,22]tricosa-1,4,6,8,10,15,17(22),18,20-nonaene-12,14-dione?
The InChIKey is BQIAECJHNQWPSX-CAAWYJROSA-N. The full InChI is InChI=1S/C32H34ClN3O4Si.C32H33N3O4Si/c1-32(2,3)41(5,6)40-20-12-11-18(15-20)36-25-10-8-7-9-21(25)26(29(36)33)28-27(30(37)35-31(28)38)23-17-34-24-14-13-19(39-4)16-22(23)24;1-32(2,3)40(5,6)39-19-12-11-17(15-19)35-23-10-8-7-9-20(23)25-27-26(30(36)34-31(27)37)24-21-16-18(38-4)13-14-22(21)33-28(24)29(25)35/h7-14,16-18,20,34H,15H2,1-6H3,(H,35,37,38);7-14,16-17,19,33H,15H2,1-6H3,(H,34,36,37)/t18-,20+;17-,19+/m00/s1.
What are the key properties of 3-[1-[(1R,4S)-4-[tert-butyl(dimethyl)silyl]oxycyclopent-2-en-1-yl]-2-chloroindol-3-yl]-4-(5-methoxy-1H-indol-3-yl)pyrrole-2,5-dione;3-[(1R,4S)-4-[tert-butyl(dimethyl)silyl]oxycyclopent-2-en-1-yl]-19-methoxy-3,13,23-triazahexacyclo[14.7.0.02,10.04,9.011,15.017,22]tricosa-1,4,6,8,10,15,17(22),18,20-nonaene-12,14-dione?
3-[1-[(1R,4S)-4-[tert-butyl(dimethyl)silyl]oxycyclopent-2-en-1-yl]-2-chloroindol-3-yl]-4-(5-methoxy-1H-indol-3-yl)pyrrole-2,5-dione;3-[(1R,4S)-4-[tert-butyl(dimethyl)silyl]oxycyclopent-2-en-1-yl]-19-methoxy-3,13,23-triazahexacyclo[14.7.0.02,10.04,9.011,15.017,22]tricosa-1,4,6,8,10,15,17(22),18,20-nonaene-12,14-dione has a molecular weight of 1139.90 g/mol, XLogP of 14.46, 10 rotatable bonds, 4 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-[(1R,4S)-4-[tert-butyl(dimethyl)silyl]oxycyclopent-2-en-1-yl]-2-chloroindol-3-yl]-4-(5-methoxy-1H-indol-3-yl)pyrrole-2,5-dione;3-[(1R,4S)-4-[tert-butyl(dimethyl)silyl]oxycyclopent-2-en-1-yl]-19-methoxy-3,13,23-triazahexacyclo[14.7.0.02,10.04,9.011,15.017,22]tricosa-1,4,6,8,10,15,17(22),18,20-nonaene-12,14-dione is sourced from PubChem (CID 157429148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).