tert-butyl N-methyl-N-[[4-[5-methyl-1-tri(propan-2-yl)silylpyrrolo[2,3-b]pyridine-4-carbonyl]cyclohexyl]methylsulfonyl]carbamate;tert-butyl N-methyl-N-[[4-[1-[5-methyl-1-tri(propan-2-yl)silylpyrrolo[2,3-b]pyridin-4-yl]prop-1-enyl]cyclohexyl]methylsulfonyl]carbamate;propane

C67H114N6O9S2Si2 — CID 167663911

IUPACtert-butyl N-methyl-N-[[4-[5-methyl-1-tri(propan-2-yl)silylpyrrolo[2,3-b]pyridine-4-carbonyl]cyclohexyl]methylsulfonyl]carbamate;tert-butyl N-methyl-N-[[4-[1-[5-methyl-1-tri(propan-2-yl)silylpyrrolo[2,3-b]pyridin-4-yl]prop-1-enyl]cyclohexyl]methylsulfonyl]carbamate;propane
SMILESCC=C(c1c(C)cnc2c1ccn2[Si](C(C)C)(C(C)C)C(C)C)C1CCC(CS(=O)(=O)N(C)C(=O)OC(C)(C)C)CC1.CCC.Cc1cnc2c(ccn2[Si](C(C)C)(C(C)C)C(C)C)c1C(=O)C1CCC(CS(=O)(=O)N(C)C(=O)OC(C)(C)C)CC1
InChIInChI=1S/C33H55N3O4SSi.C31H51N3O5SSi.C3H8/c1-13-28(27-16-14-26(15-17-27)21-41(38,39)35(12)32(37)40-33(9,10)11)30-25(8)20-34-31-29(30)18-19-36(31)42(22(2)3,23(4)5)24(6)7;1-20(2)41(21(3)4,22(5)6)34-17-16-26-27(23(7)18-32-29(26)34)28(35)25-14-12-24(13-15-25)19-40(37,38)33(11)30(36)39-31(8,9)10;1-3-2/h13,18-20,22-24,26-27H,14-17,21H2,1-12H3;16-18,20-22,24-25H,12-15,19H2,1-11H3;3H2,1-2H3
InChIKeySIWNIZDESVIQTK-UHFFFAOYSA-N
MW1267.99 g/mol
LogP17.75
Rot. Bonds18

About tert-butyl N-methyl-N-[[4-[5-methyl-1-tri(propan-2-yl)silylpyrrolo[2,3-b]pyridine-4-carbonyl]cyclohexyl]methylsulfonyl]carbamate;tert-butyl N-methyl-N-[[4-[1-[5-methyl-1-tri(propan-2-yl)silylpyrrolo[2,3-b]pyridin-4-yl]prop-1-enyl]cyclohexyl]methylsulfonyl]carbamate;propane

tert-butyl N-methyl-N-[[4-[5-methyl-1-tri(propan-2-yl)silylpyrrolo[2,3-b]pyridine-4-carbonyl]cyclohexyl]methylsulfonyl]carbamate;tert-butyl N-methyl-N-[[4-[1-[5-methyl-1-tri(propan-2-yl)silylpyrrolo[2,3-b]pyridin-4-yl]prop-1-enyl]cyclohexyl]methylsulfonyl]carbamate;propane (PubChem CID 167663911) has the molecular formula C67H114N6O9S2Si2 and a molecular weight of 1267.99 g/mol. Its IUPAC name is tert-butyl N-methyl-N-[[4-[5-methyl-1-tri(propan-2-yl)silylpyrrolo[2,3-b]pyridine-4-carbonyl]cyclohexyl]methylsulfonyl]carbamate;tert-butyl N-methyl-N-[[4-[1-[5-methyl-1-tri(propan-2-yl)silylpyrrolo[2,3-b]pyridin-4-yl]prop-1-enyl]cyclohexyl]methylsulfonyl]carbamate;propane.

Molecular Properties

Compound Nametert-butyl N-methyl-N-[[4-[5-methyl-1-tri(propan-2-yl)silylpyrrolo[2,3-b]pyridine-4-carbonyl]cyclohexyl]methylsulfonyl]carbamate;tert-butyl N-methyl-N-[[4-[1-[5-methyl-1-tri(propan-2-yl)silylpyrrolo[2,3-b]pyridin-4-yl]prop-1-enyl]cyclohexyl]methylsulfonyl]carbamate;propane
PubChem CID167663911
Molecular FormulaC67H114N6O9S2Si2
Molecular Weight1267.99 g/mol
Exact Mass1266.76
IUPAC Nametert-butyl N-methyl-N-[[4-[5-methyl-1-tri(propan-2-yl)silylpyrrolo[2,3-b]pyridine-4-carbonyl]cyclohexyl]methylsulfonyl]carbamate;tert-butyl N-methyl-N-[[4-[1-[5-methyl-1-tri(propan-2-yl)silylpyrrolo[2,3-b]pyridin-4-yl]prop-1-enyl]cyclohexyl]methylsulfonyl]carbamate;propane
SMILESCC=C(c1c(C)cnc2c1ccn2[Si](C(C)C)(C(C)C)C(C)C)C1CCC(CS(=O)(=O)N(C)C(=O)OC(C)(C)C)CC1.CCC.Cc1cnc2c(ccn2[Si](C(C)C)(C(C)C)C(C)C)c1C(=O)C1CCC(CS(=O)(=O)N(C)C(=O)OC(C)(C)C)CC1
InChIInChI=1S/C33H55N3O4SSi.C31H51N3O5SSi.C3H8/c1-13-28(27-16-14-26(15-17-27)21-41(38,39)35(12)32(37)40-33(9,10)11)30-25(8)20-34-31-29(30)18-19-36(31)42(22(2)3,23(4)5)24(6)7;1-20(2)41(21(3)4,22(5)6)34-17-16-26-27(23(7)18-32-29(26)34)28(35)25-14-12-24(13-15-25)19-40(37,38)33(11)30(36)39-31(8,9)10;1-3-2/h13,18-20,22-24,26-27H,14-17,21H2,1-12H3;16-18,20-22,24-25H,12-15,19H2,1-11H3;3H2,1-2H3
InChIKeySIWNIZDESVIQTK-UHFFFAOYSA-N
XLogP17.75
TPSA180.07 Ų
H-Bond Donors
H-Bond Acceptors13
Rotatable Bonds18
Heavy Atoms86
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001267.99
LogP ≤ 517.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1013

Computed Properties (RDKit)

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

Analyze tert-butyl N-methyl-N-[[4-[5-methyl-1-tri(propan-2-yl)silylpyrrolo[2,3-b]pyridine-4-carbonyl]cyclohexyl]methylsulfonyl]carbamate;tert-butyl N-methyl-N-[[4-[1-[5-methyl-1-tri(propan-2-yl)silylpyrrolo[2,3-b]pyridin-4-yl]prop-1-enyl]cyclohexyl]methylsulfonyl]carbamate;propane with MolForge

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-methyl-N-[[4-[5-methyl-1-tri(propan-2-yl)silylpyrrolo[2,3-b]pyridine-4-carbonyl]cyclohexyl]methylsulfonyl]carbamate;tert-butyl N-methyl-N-[[4-[1-[5-methyl-1-tri(propan-2-yl)silylpyrrolo[2,3-b]pyridin-4-yl]prop-1-enyl]cyclohexyl]methylsulfonyl]carbamate;propane?
The IUPAC name of tert-butyl N-methyl-N-[[4-[5-methyl-1-tri(propan-2-yl)silylpyrrolo[2,3-b]pyridine-4-carbonyl]cyclohexyl]methylsulfonyl]carbamate;tert-butyl N-methyl-N-[[4-[1-[5-methyl-1-tri(propan-2-yl)silylpyrrolo[2,3-b]pyridin-4-yl]prop-1-enyl]cyclohexyl]methylsulfonyl]carbamate;propane (CID 167663911) is tert-butyl N-methyl-N-[[4-[5-methyl-1-tri(propan-2-yl)silylpyrrolo[2,3-b]pyridine-4-carbonyl]cyclohexyl]methylsulfonyl]carbamate;tert-butyl N-methyl-N-[[4-[1-[5-methyl-1-tri(propan-2-yl)silylpyrrolo[2,3-b]pyridin-4-yl]prop-1-enyl]cyclohexyl]methylsulfonyl]carbamate;propane.
What is the SMILES notation for tert-butyl N-methyl-N-[[4-[5-methyl-1-tri(propan-2-yl)silylpyrrolo[2,3-b]pyridine-4-carbonyl]cyclohexyl]methylsulfonyl]carbamate;tert-butyl N-methyl-N-[[4-[1-[5-methyl-1-tri(propan-2-yl)silylpyrrolo[2,3-b]pyridin-4-yl]prop-1-enyl]cyclohexyl]methylsulfonyl]carbamate;propane?
The canonical SMILES for tert-butyl N-methyl-N-[[4-[5-methyl-1-tri(propan-2-yl)silylpyrrolo[2,3-b]pyridine-4-carbonyl]cyclohexyl]methylsulfonyl]carbamate;tert-butyl N-methyl-N-[[4-[1-[5-methyl-1-tri(propan-2-yl)silylpyrrolo[2,3-b]pyridin-4-yl]prop-1-enyl]cyclohexyl]methylsulfonyl]carbamate;propane is CC=C(c1c(C)cnc2c1ccn2[Si](C(C)C)(C(C)C)C(C)C)C1CCC(CS(=O)(=O)N(C)C(=O)OC(C)(C)C)CC1.CCC.Cc1cnc2c(ccn2[Si](C(C)C)(C(C)C)C(C)C)c1C(=O)C1CCC(CS(=O)(=O)N(C)C(=O)OC(C)(C)C)CC1.
What is the InChIKey of tert-butyl N-methyl-N-[[4-[5-methyl-1-tri(propan-2-yl)silylpyrrolo[2,3-b]pyridine-4-carbonyl]cyclohexyl]methylsulfonyl]carbamate;tert-butyl N-methyl-N-[[4-[1-[5-methyl-1-tri(propan-2-yl)silylpyrrolo[2,3-b]pyridin-4-yl]prop-1-enyl]cyclohexyl]methylsulfonyl]carbamate;propane?
The InChIKey is SIWNIZDESVIQTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H55N3O4SSi.C31H51N3O5SSi.C3H8/c1-13-28(27-16-14-26(15-17-27)21-41(38,39)35(12)32(37)40-33(9,10)11)30-25(8)20-34-31-29(30)18-19-36(31)42(22(2)3,23(4)5)24(6)7;1-20(2)41(21(3)4,22(5)6)34-17-16-26-27(23(7)18-32-29(26)34)28(35)25-14-12-24(13-15-25)19-40(37,38)33(11)30(36)39-31(8,9)10;1-3-2/h13,18-20,22-24,26-27H,14-17,21H2,1-12H3;16-18,20-22,24-25H,12-15,19H2,1-11H3;3H2,1-2H3.
What are the key properties of tert-butyl N-methyl-N-[[4-[5-methyl-1-tri(propan-2-yl)silylpyrrolo[2,3-b]pyridine-4-carbonyl]cyclohexyl]methylsulfonyl]carbamate;tert-butyl N-methyl-N-[[4-[1-[5-methyl-1-tri(propan-2-yl)silylpyrrolo[2,3-b]pyridin-4-yl]prop-1-enyl]cyclohexyl]methylsulfonyl]carbamate;propane?
tert-butyl N-methyl-N-[[4-[5-methyl-1-tri(propan-2-yl)silylpyrrolo[2,3-b]pyridine-4-carbonyl]cyclohexyl]methylsulfonyl]carbamate;tert-butyl N-methyl-N-[[4-[1-[5-methyl-1-tri(propan-2-yl)silylpyrrolo[2,3-b]pyridin-4-yl]prop-1-enyl]cyclohexyl]methylsulfonyl]carbamate;propane has a molecular weight of 1267.99 g/mol, XLogP of 17.75, 18 rotatable bonds, 0 hydrogen bond donors, and 13 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-methyl-N-[[4-[5-methyl-1-tri(propan-2-yl)silylpyrrolo[2,3-b]pyridine-4-carbonyl]cyclohexyl]methylsulfonyl]carbamate;tert-butyl N-methyl-N-[[4-[1-[5-methyl-1-tri(propan-2-yl)silylpyrrolo[2,3-b]pyridin-4-yl]prop-1-enyl]cyclohexyl]methylsulfonyl]carbamate;propane is sourced from PubChem (CID 167663911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).