tert-butyl (3S,4S)-4-methyl-3-[5-methyl-1-tri(propan-2-yl)silylpyrrolo[2,3-b]pyridine-4-carbonyl]piperidine-1-carboxylate;methane;[(3S,4S)-4-methylpiperidin-3-yl]-[5-methyl-1-tri(propan-2-yl)silylpyrrolo[2,3-b]pyridin-4-yl]methanone

C54H90N6O4Si2 — CID 159684781

IUPACtert-butyl (3S,4S)-4-methyl-3-[5-methyl-1-tri(propan-2-yl)silylpyrrolo[2,3-b]pyridine-4-carbonyl]piperidine-1-carboxylate;methane;[(3S,4S)-4-methylpiperidin-3-yl]-[5-methyl-1-tri(propan-2-yl)silylpyrrolo[2,3-b]pyridin-4-yl]methanone
SMILESC.Cc1cnc2c(ccn2[Si](C(C)C)(C(C)C)C(C)C)c1C(=O)[C@@H]1CN(C(=O)OC(C)(C)C)CC[C@@H]1C.Cc1cnc2c(ccn2[Si](C(C)C)(C(C)C)C(C)C)c1C(=O)[C@@H]1CNCC[C@@H]1C
InChIInChI=1S/C29H47N3O3Si.C24H39N3OSi.CH4/c1-18(2)36(19(3)4,20(5)6)32-15-13-23-25(22(8)16-30-27(23)32)26(33)24-17-31(14-12-21(24)7)28(34)35-29(9,10)11;1-15(2)29(16(3)4,17(5)6)27-12-10-20-22(19(8)13-26-24(20)27)23(28)21-14-25-11-9-18(21)7;/h13,15-16,18-21,24H,12,14,17H2,1-11H3;10,12-13,15-18,21,25H,9,11,14H2,1-8H3;1H4/t21-,24+;18-,21+;/m00./s1
InChIKeyMVQNNNDXFUORFH-GEPWAGJASA-N
MW943.52 g/mol
LogP13.88
Rot. Bonds12

About tert-butyl (3S,4S)-4-methyl-3-[5-methyl-1-tri(propan-2-yl)silylpyrrolo[2,3-b]pyridine-4-carbonyl]piperidine-1-carboxylate;methane;[(3S,4S)-4-methylpiperidin-3-yl]-[5-methyl-1-tri(propan-2-yl)silylpyrrolo[2,3-b]pyridin-4-yl]methanone

tert-butyl (3S,4S)-4-methyl-3-[5-methyl-1-tri(propan-2-yl)silylpyrrolo[2,3-b]pyridine-4-carbonyl]piperidine-1-carboxylate;methane;[(3S,4S)-4-methylpiperidin-3-yl]-[5-methyl-1-tri(propan-2-yl)silylpyrrolo[2,3-b]pyridin-4-yl]methanone (PubChem CID 159684781) has the molecular formula C54H90N6O4Si2 and a molecular weight of 943.52 g/mol. Its IUPAC name is tert-butyl (3S,4S)-4-methyl-3-[5-methyl-1-tri(propan-2-yl)silylpyrrolo[2,3-b]pyridine-4-carbonyl]piperidine-1-carboxylate;methane;[(3S,4S)-4-methylpiperidin-3-yl]-[5-methyl-1-tri(propan-2-yl)silylpyrrolo[2,3-b]pyridin-4-yl]methanone.

Molecular Properties

Compound Nametert-butyl (3S,4S)-4-methyl-3-[5-methyl-1-tri(propan-2-yl)silylpyrrolo[2,3-b]pyridine-4-carbonyl]piperidine-1-carboxylate;methane;[(3S,4S)-4-methylpiperidin-3-yl]-[5-methyl-1-tri(propan-2-yl)silylpyrrolo[2,3-b]pyridin-4-yl]methanone
PubChem CID159684781
Molecular FormulaC54H90N6O4Si2
Molecular Weight943.52 g/mol
Exact Mass942.66
IUPAC Nametert-butyl (3S,4S)-4-methyl-3-[5-methyl-1-tri(propan-2-yl)silylpyrrolo[2,3-b]pyridine-4-carbonyl]piperidine-1-carboxylate;methane;[(3S,4S)-4-methylpiperidin-3-yl]-[5-methyl-1-tri(propan-2-yl)silylpyrrolo[2,3-b]pyridin-4-yl]methanone
SMILESC.Cc1cnc2c(ccn2[Si](C(C)C)(C(C)C)C(C)C)c1C(=O)[C@@H]1CN(C(=O)OC(C)(C)C)CC[C@@H]1C.Cc1cnc2c(ccn2[Si](C(C)C)(C(C)C)C(C)C)c1C(=O)[C@@H]1CNCC[C@@H]1C
InChIInChI=1S/C29H47N3O3Si.C24H39N3OSi.CH4/c1-18(2)36(19(3)4,20(5)6)32-15-13-23-25(22(8)16-30-27(23)32)26(33)24-17-31(14-12-21(24)7)28(34)35-29(9,10)11;1-15(2)29(16(3)4,17(5)6)27-12-10-20-22(19(8)13-26-24(20)27)23(28)21-14-25-11-9-18(21)7;/h13,15-16,18-21,24H,12,14,17H2,1-11H3;10,12-13,15-18,21,25H,9,11,14H2,1-8H3;1H4/t21-,24+;18-,21+;/m00./s1
InChIKeyMVQNNNDXFUORFH-GEPWAGJASA-N
XLogP13.88
TPSA111.35 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds12
Heavy Atoms66
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500943.52
LogP ≤ 513.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

Analyze tert-butyl (3S,4S)-4-methyl-3-[5-methyl-1-tri(propan-2-yl)silylpyrrolo[2,3-b]pyridine-4-carbonyl]piperidine-1-carboxylate;methane;[(3S,4S)-4-methylpiperidin-3-yl]-[5-methyl-1-tri(propan-2-yl)silylpyrrolo[2,3-b]pyridin-4-yl]methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of tert-butyl (3S,4S)-4-methyl-3-[5-methyl-1-tri(propan-2-yl)silylpyrrolo[2,3-b]pyridine-4-carbonyl]piperidine-1-carboxylate;methane;[(3S,4S)-4-methylpiperidin-3-yl]-[5-methyl-1-tri(propan-2-yl)silylpyrrolo[2,3-b]pyridin-4-yl]methanone?
The IUPAC name of tert-butyl (3S,4S)-4-methyl-3-[5-methyl-1-tri(propan-2-yl)silylpyrrolo[2,3-b]pyridine-4-carbonyl]piperidine-1-carboxylate;methane;[(3S,4S)-4-methylpiperidin-3-yl]-[5-methyl-1-tri(propan-2-yl)silylpyrrolo[2,3-b]pyridin-4-yl]methanone (CID 159684781) is tert-butyl (3S,4S)-4-methyl-3-[5-methyl-1-tri(propan-2-yl)silylpyrrolo[2,3-b]pyridine-4-carbonyl]piperidine-1-carboxylate;methane;[(3S,4S)-4-methylpiperidin-3-yl]-[5-methyl-1-tri(propan-2-yl)silylpyrrolo[2,3-b]pyridin-4-yl]methanone.
What is the SMILES notation for tert-butyl (3S,4S)-4-methyl-3-[5-methyl-1-tri(propan-2-yl)silylpyrrolo[2,3-b]pyridine-4-carbonyl]piperidine-1-carboxylate;methane;[(3S,4S)-4-methylpiperidin-3-yl]-[5-methyl-1-tri(propan-2-yl)silylpyrrolo[2,3-b]pyridin-4-yl]methanone?
The canonical SMILES for tert-butyl (3S,4S)-4-methyl-3-[5-methyl-1-tri(propan-2-yl)silylpyrrolo[2,3-b]pyridine-4-carbonyl]piperidine-1-carboxylate;methane;[(3S,4S)-4-methylpiperidin-3-yl]-[5-methyl-1-tri(propan-2-yl)silylpyrrolo[2,3-b]pyridin-4-yl]methanone is C.Cc1cnc2c(ccn2[Si](C(C)C)(C(C)C)C(C)C)c1C(=O)[C@@H]1CN(C(=O)OC(C)(C)C)CC[C@@H]1C.Cc1cnc2c(ccn2[Si](C(C)C)(C(C)C)C(C)C)c1C(=O)[C@@H]1CNCC[C@@H]1C.
What is the InChIKey of tert-butyl (3S,4S)-4-methyl-3-[5-methyl-1-tri(propan-2-yl)silylpyrrolo[2,3-b]pyridine-4-carbonyl]piperidine-1-carboxylate;methane;[(3S,4S)-4-methylpiperidin-3-yl]-[5-methyl-1-tri(propan-2-yl)silylpyrrolo[2,3-b]pyridin-4-yl]methanone?
The InChIKey is MVQNNNDXFUORFH-GEPWAGJASA-N. The full InChI is InChI=1S/C29H47N3O3Si.C24H39N3OSi.CH4/c1-18(2)36(19(3)4,20(5)6)32-15-13-23-25(22(8)16-30-27(23)32)26(33)24-17-31(14-12-21(24)7)28(34)35-29(9,10)11;1-15(2)29(16(3)4,17(5)6)27-12-10-20-22(19(8)13-26-24(20)27)23(28)21-14-25-11-9-18(21)7;/h13,15-16,18-21,24H,12,14,17H2,1-11H3;10,12-13,15-18,21,25H,9,11,14H2,1-8H3;1H4/t21-,24+;18-,21+;/m00./s1.
What are the key properties of tert-butyl (3S,4S)-4-methyl-3-[5-methyl-1-tri(propan-2-yl)silylpyrrolo[2,3-b]pyridine-4-carbonyl]piperidine-1-carboxylate;methane;[(3S,4S)-4-methylpiperidin-3-yl]-[5-methyl-1-tri(propan-2-yl)silylpyrrolo[2,3-b]pyridin-4-yl]methanone?
tert-butyl (3S,4S)-4-methyl-3-[5-methyl-1-tri(propan-2-yl)silylpyrrolo[2,3-b]pyridine-4-carbonyl]piperidine-1-carboxylate;methane;[(3S,4S)-4-methylpiperidin-3-yl]-[5-methyl-1-tri(propan-2-yl)silylpyrrolo[2,3-b]pyridin-4-yl]methanone has a molecular weight of 943.52 g/mol, XLogP of 13.88, 12 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (3S,4S)-4-methyl-3-[5-methyl-1-tri(propan-2-yl)silylpyrrolo[2,3-b]pyridine-4-carbonyl]piperidine-1-carboxylate;methane;[(3S,4S)-4-methylpiperidin-3-yl]-[5-methyl-1-tri(propan-2-yl)silylpyrrolo[2,3-b]pyridin-4-yl]methanone is sourced from PubChem (CID 159684781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).