tert-butyl N-[4-chloro-5-[hydroxy-[1-tri(propan-2-yl)silylpyrrolo[2,3-b]pyridin-3-yl]methyl]-1,3-thiazol-2-yl]-N-[(4-fluorophenyl)methyl]carbamate;tert-butyl N-[(4-fluorophenyl)methyl]-N-[5-(1H-pyrrolo[2,3-b]pyridine-3-carbonyl)-1,3-thiazol-2-yl]carbamate;[2-[2-(4-fluorophenyl)ethyl]-1,3-thiazol-5-yl]-(1H-pyrrolo[2,3-b]pyridin-3-yl)methanone

C74H77ClF3N11O7S3Si — CID 157376864

About tert-butyl N-[4-chloro-5-[hydroxy-[1-tri(propan-2-yl)silylpyrrolo[2,3-b]pyridin-3-yl]methyl]-1,3-thiazol-2-yl]-N-[(4-fluorophenyl)methyl]carbamate;tert-butyl N-[(4-fluorophenyl)methyl]-N-[5-(1H-pyrrolo[2,3-b]pyridine-3-carbonyl)-1,3-thiazol-2-yl]carbamate;[2-[2-(4-fluorophenyl)ethyl]-1,3-thiazol-5-yl]-(1H-pyrrolo[2,3-b]pyridin-3-yl)methanone

tert-butyl N-[4-chloro-5-[hydroxy-[1-tri(propan-2-yl)silylpyrrolo[2,3-b]pyridin-3-yl]methyl]-1,3-thiazol-2-yl]-N-[(4-fluorophenyl)methyl]carbamate;tert-butyl N-[(4-fluorophenyl)methyl]-N-[5-(1H-pyrrolo[2,3-b]pyridine-3-carbonyl)-1,3-thiazol-2-yl]carbamate;[2-[2-(4-fluorophenyl)ethyl]-1,3-thiazol-5-yl]-(1H-pyrrolo[2,3-b]pyridin-3-yl)methanone (PubChem CID 157376864) has the molecular formula C74H77ClF3N11O7S3Si and a molecular weight of 1449.23 g/mol. Its IUPAC name is tert-butyl N-[4-chloro-5-[hydroxy-[1-tri(propan-2-yl)silylpyrrolo[2,3-b]pyridin-3-yl]methyl]-1,3-thiazol-2-yl]-N-[(4-fluorophenyl)methyl]carbamate;tert-butyl N-[(4-fluorophenyl)methyl]-N-[5-(1H-pyrrolo[2,3-b]pyridine-3-carbonyl)-1,3-thiazol-2-yl]carbamate;[2-[2-(4-fluorophenyl)ethyl]-1,3-thiazol-5-yl]-(1H-pyrrolo[2,3-b]pyridin-3-yl)methanone.

Molecular Properties

• Compound Name: tert-butyl N-[4-chloro-5-[hydroxy-[1-tri(propan-2-yl)silylpyrrolo[2,3-b]pyridin-3-yl]methyl]-1,3-thiazol-2-yl]-N-[(4-fluorophenyl)methyl]carbamate;tert-butyl N-[(4-fluorophenyl)methyl]-N-[5-(1H-pyrrolo[2,3-b]pyridine-3-carbonyl)-1,3-thiazol-2-yl]carbamate;[2-[2-(4-fluorophenyl)ethyl]-1,3-thiazol-5-yl]-(1H-pyrrolo[2,3-b]pyridin-3-yl)methanone
• PubChem CID: 157376864
• Molecular Formula: C74H77ClF3N11O7S3Si
• Molecular Weight: 1449.23 g/mol
• Exact Mass: 1447.46
• IUPAC Name: tert-butyl N-[4-chloro-5-[hydroxy-[1-tri(propan-2-yl)silylpyrrolo[2,3-b]pyridin-3-yl]methyl]-1,3-thiazol-2-yl]-N-[(4-fluorophenyl)methyl]carbamate;tert-butyl N-[(4-fluorophenyl)methyl]-N-[5-(1H-pyrrolo[2,3-b]pyridine-3-carbonyl)-1,3-thiazol-2-yl]carbamate;[2-[2-(4-fluorophenyl)ethyl]-1,3-thiazol-5-yl]-(1H-pyrrolo[2,3-b]pyridin-3-yl)methanone
• SMILES: CC(C)(C)OC(=O)N(Cc1ccc(F)cc1)c1ncc(C(=O)c2c[nH]c3ncccc23)s1.CC(C)[Si](C(C)C)(C(C)C)n1cc(C(O)c2sc(N(Cc3ccc(F)cc3)C(=O)OC(C)(C)C)nc2Cl)c2cccnc21.O=C(c1cnc(CCc2ccc(F)cc2)s1)c1c[nH]c2ncccc12
• InChI: InChI=1S/C32H42ClFN4O3SSi.C23H21FN4O3S.C19H14FN3OS/c1-19(2)43(20(3)4,21(5)6)38-18-25(24-11-10-16-35-29(24)38)26(39)27-28(33)36-30(42-27)37(31(40)41-32(7,8)9)17-22-12-14-23(34)15-13-22;1-23(2,3)31-22(30)28(13-14-6-8-15(24)9-7-14)21-27-12-18(32-21)19(29)17-11-26-20-16(17)5-4-10-25-20;20-13-6-3-12(4-7-13)5-8-17-22-11-16(25-17)18(24)15-10-23-19-14(15)2-1-9-21-19/h10-16,18-21,26,39H,17H2,1-9H3;4-12H,13H2,1-3H3,(H,25,26);1-4,6-7,9-11H,5,8H2,(H,21,23)
• InChIKey: BKKRDQFIUSKNJI-UHFFFAOYSA-N
• XLogP: 18.84
• TPSA: 227.30 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 17
• Rotatable Bonds: 19
• Heavy Atoms: 100
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1449.23
LogP ≤ 5	18.84
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	17

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[4-chloro-5-[hydroxy-[1-tri(propan-2-yl)silylpyrrolo[2,3-b]pyridin-3-yl]methyl]-1,3-thiazol-2-yl]-N-[(4-fluorophenyl)methyl]carbamate;tert-butyl N-[(4-fluorophenyl)methyl]-N-[5-(1H-pyrrolo[2,3-b]pyridine-3-carbonyl)-1,3-thiazol-2-yl]carbamate;[2-[2-(4-fluorophenyl)ethyl]-1,3-thiazol-5-yl]-(1H-pyrrolo[2,3-b]pyridin-3-yl)methanone?

The IUPAC name of tert-butyl N-[4-chloro-5-[hydroxy-[1-tri(propan-2-yl)silylpyrrolo[2,3-b]pyridin-3-yl]methyl]-1,3-thiazol-2-yl]-N-[(4-fluorophenyl)methyl]carbamate;tert-butyl N-[(4-fluorophenyl)methyl]-N-[5-(1H-pyrrolo[2,3-b]pyridine-3-carbonyl)-1,3-thiazol-2-yl]carbamate;[2-[2-(4-fluorophenyl)ethyl]-1,3-thiazol-5-yl]-(1H-pyrrolo[2,3-b]pyridin-3-yl)methanone (CID 157376864) is tert-butyl N-[4-chloro-5-[hydroxy-[1-tri(propan-2-yl)silylpyrrolo[2,3-b]pyridin-3-yl]methyl]-1,3-thiazol-2-yl]-N-[(4-fluorophenyl)methyl]carbamate;tert-butyl N-[(4-fluorophenyl)methyl]-N-[5-(1H-pyrrolo[2,3-b]pyridine-3-carbonyl)-1,3-thiazol-2-yl]carbamate;[2-[2-(4-fluorophenyl)ethyl]-1,3-thiazol-5-yl]-(1H-pyrrolo[2,3-b]pyridin-3-yl)methanone.

What is the SMILES notation for tert-butyl N-[4-chloro-5-[hydroxy-[1-tri(propan-2-yl)silylpyrrolo[2,3-b]pyridin-3-yl]methyl]-1,3-thiazol-2-yl]-N-[(4-fluorophenyl)methyl]carbamate;tert-butyl N-[(4-fluorophenyl)methyl]-N-[5-(1H-pyrrolo[2,3-b]pyridine-3-carbonyl)-1,3-thiazol-2-yl]carbamate;[2-[2-(4-fluorophenyl)ethyl]-1,3-thiazol-5-yl]-(1H-pyrrolo[2,3-b]pyridin-3-yl)methanone?

The canonical SMILES for tert-butyl N-[4-chloro-5-[hydroxy-[1-tri(propan-2-yl)silylpyrrolo[2,3-b]pyridin-3-yl]methyl]-1,3-thiazol-2-yl]-N-[(4-fluorophenyl)methyl]carbamate;tert-butyl N-[(4-fluorophenyl)methyl]-N-[5-(1H-pyrrolo[2,3-b]pyridine-3-carbonyl)-1,3-thiazol-2-yl]carbamate;[2-[2-(4-fluorophenyl)ethyl]-1,3-thiazol-5-yl]-(1H-pyrrolo[2,3-b]pyridin-3-yl)methanone is CC(C)(C)OC(=O)N(Cc1ccc(F)cc1)c1ncc(C(=O)c2c[nH]c3ncccc23)s1.CC(C)[Si](C(C)C)(C(C)C)n1cc(C(O)c2sc(N(Cc3ccc(F)cc3)C(=O)OC(C)(C)C)nc2Cl)c2cccnc21.O=C(c1cnc(CCc2ccc(F)cc2)s1)c1c[nH]c2ncccc12.

What is the InChIKey of tert-butyl N-[4-chloro-5-[hydroxy-[1-tri(propan-2-yl)silylpyrrolo[2,3-b]pyridin-3-yl]methyl]-1,3-thiazol-2-yl]-N-[(4-fluorophenyl)methyl]carbamate;tert-butyl N-[(4-fluorophenyl)methyl]-N-[5-(1H-pyrrolo[2,3-b]pyridine-3-carbonyl)-1,3-thiazol-2-yl]carbamate;[2-[2-(4-fluorophenyl)ethyl]-1,3-thiazol-5-yl]-(1H-pyrrolo[2,3-b]pyridin-3-yl)methanone?

The InChIKey is BKKRDQFIUSKNJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H42ClFN4O3SSi.C23H21FN4O3S.C19H14FN3OS/c1-19(2)43(20(3)4,21(5)6)38-18-25(24-11-10-16-35-29(24)38)26(39)27-28(33)36-30(42-27)37(31(40)41-32(7,8)9)17-22-12-14-23(34)15-13-22;1-23(2,3)31-22(30)28(13-14-6-8-15(24)9-7-14)21-27-12-18(32-21)19(29)17-11-26-20-16(17)5-4-10-25-20;20-13-6-3-12(4-7-13)5-8-17-22-11-16(25-17)18(24)15-10-23-19-14(15)2-1-9-21-19/h10-16,18-21,26,39H,17H2,1-9H3;4-12H,13H2,1-3H3,(H,25,26);1-4,6-7,9-11H,5,8H2,(H,21,23).

What are the key properties of tert-butyl N-[4-chloro-5-[hydroxy-[1-tri(propan-2-yl)silylpyrrolo[2,3-b]pyridin-3-yl]methyl]-1,3-thiazol-2-yl]-N-[(4-fluorophenyl)methyl]carbamate;tert-butyl N-[(4-fluorophenyl)methyl]-N-[5-(1H-pyrrolo[2,3-b]pyridine-3-carbonyl)-1,3-thiazol-2-yl]carbamate;[2-[2-(4-fluorophenyl)ethyl]-1,3-thiazol-5-yl]-(1H-pyrrolo[2,3-b]pyridin-3-yl)methanone?

tert-butyl N-[4-chloro-5-[hydroxy-[1-tri(propan-2-yl)silylpyrrolo[2,3-b]pyridin-3-yl]methyl]-1,3-thiazol-2-yl]-N-[(4-fluorophenyl)methyl]carbamate;tert-butyl N-[(4-fluorophenyl)methyl]-N-[5-(1H-pyrrolo[2,3-b]pyridine-3-carbonyl)-1,3-thiazol-2-yl]carbamate;[2-[2-(4-fluorophenyl)ethyl]-1,3-thiazol-5-yl]-(1H-pyrrolo[2,3-b]pyridin-3-yl)methanone has a molecular weight of 1449.23 g/mol, XLogP of 18.84, 19 rotatable bonds, 3 hydrogen bond donors, and 17 hydrogen bond acceptors.

Where does this data come from?

All data for tert-butyl N-[4-chloro-5-[hydroxy-[1-tri(propan-2-yl)silylpyrrolo[2,3-b]pyridin-3-yl]methyl]-1,3-thiazol-2-yl]-N-[(4-fluorophenyl)methyl]carbamate;tert-butyl N-[(4-fluorophenyl)methyl]-N-[5-(1H-pyrrolo[2,3-b]pyridine-3-carbonyl)-1,3-thiazol-2-yl]carbamate;[2-[2-(4-fluorophenyl)ethyl]-1,3-thiazol-5-yl]-(1H-pyrrolo[2,3-b]pyridin-3-yl)methanone is sourced from PubChem (CID 157376864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).