tert-butyl N-[5-[hydroxy-[5-(2-morpholin-4-ylethoxy)-1H-pyrrolo[2,3-b]pyridin-3-yl]methyl]-2-pyridinyl]-N-[[4-(trifluoromethyl)phenyl]methyl]carbamate;ethane

C34H42F3N5O5 — CID 143399602

About tert-butyl N-[5-[hydroxy-[5-(2-morpholin-4-ylethoxy)-1H-pyrrolo[2,3-b]pyridin-3-yl]methyl]-2-pyridinyl]-N-[[4-(trifluoromethyl)phenyl]methyl]carbamate;ethane

tert-butyl N-[5-[hydroxy-[5-(2-morpholin-4-ylethoxy)-1H-pyrrolo[2,3-b]pyridin-3-yl]methyl]-2-pyridinyl]-N-[[4-(trifluoromethyl)phenyl]methyl]carbamate;ethane (PubChem CID 143399602) has the molecular formula C34H42F3N5O5 and a molecular weight of 657.73 g/mol. Its IUPAC name is tert-butyl N-[5-[hydroxy-[5-(2-morpholin-4-ylethoxy)-1H-pyrrolo[2,3-b]pyridin-3-yl]methyl]-2-pyridinyl]-N-[[4-(trifluoromethyl)phenyl]methyl]carbamate;ethane.

Molecular Properties

• Compound Name: tert-butyl N-[5-[hydroxy-[5-(2-morpholin-4-ylethoxy)-1H-pyrrolo[2,3-b]pyridin-3-yl]methyl]-2-pyridinyl]-N-[[4-(trifluoromethyl)phenyl]methyl]carbamate;ethane
• PubChem CID: 143399602
• Molecular Formula: C34H42F3N5O5
• Molecular Weight: 657.73 g/mol
• Exact Mass: 657.31
• IUPAC Name: tert-butyl N-[5-[hydroxy-[5-(2-morpholin-4-ylethoxy)-1H-pyrrolo[2,3-b]pyridin-3-yl]methyl]-2-pyridinyl]-N-[[4-(trifluoromethyl)phenyl]methyl]carbamate;ethane
• SMILES: CC.CC(C)(C)OC(=O)N(Cc1ccc(C(F)(F)F)cc1)c1ccc(C(O)c2c[nH]c3ncc(OCCN4CCOCC4)cc23)cn1
• InChI: InChI=1S/C32H36F3N5O5.C2H6/c1-31(2,3)45-30(42)40(20-21-4-7-23(8-5-21)32(33,34)35)27-9-6-22(17-36-27)28(41)26-19-38-29-25(26)16-24(18-37-29)44-15-12-39-10-13-43-14-11-39;1-2/h4-9,16-19,28,41H,10-15,20H2,1-3H3,(H,37,38);1-2H3
• InChIKey: IWEDVXBGOFKVMS-UHFFFAOYSA-N
• XLogP: 6.74
• TPSA: 113.04 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 9
• Heavy Atoms: 47
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	657.73
LogP ≤ 5	6.74
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[5-[hydroxy-[5-(2-morpholin-4-ylethoxy)-1H-pyrrolo[2,3-b]pyridin-3-yl]methyl]-2-pyridinyl]-N-[[4-(trifluoromethyl)phenyl]methyl]carbamate;ethane?

The IUPAC name of tert-butyl N-[5-[hydroxy-[5-(2-morpholin-4-ylethoxy)-1H-pyrrolo[2,3-b]pyridin-3-yl]methyl]-2-pyridinyl]-N-[[4-(trifluoromethyl)phenyl]methyl]carbamate;ethane (CID 143399602) is tert-butyl N-[5-[hydroxy-[5-(2-morpholin-4-ylethoxy)-1H-pyrrolo[2,3-b]pyridin-3-yl]methyl]-2-pyridinyl]-N-[[4-(trifluoromethyl)phenyl]methyl]carbamate;ethane.

What is the SMILES notation for tert-butyl N-[5-[hydroxy-[5-(2-morpholin-4-ylethoxy)-1H-pyrrolo[2,3-b]pyridin-3-yl]methyl]-2-pyridinyl]-N-[[4-(trifluoromethyl)phenyl]methyl]carbamate;ethane?

The canonical SMILES for tert-butyl N-[5-[hydroxy-[5-(2-morpholin-4-ylethoxy)-1H-pyrrolo[2,3-b]pyridin-3-yl]methyl]-2-pyridinyl]-N-[[4-(trifluoromethyl)phenyl]methyl]carbamate;ethane is CC.CC(C)(C)OC(=O)N(Cc1ccc(C(F)(F)F)cc1)c1ccc(C(O)c2c[nH]c3ncc(OCCN4CCOCC4)cc23)cn1.

What is the InChIKey of tert-butyl N-[5-[hydroxy-[5-(2-morpholin-4-ylethoxy)-1H-pyrrolo[2,3-b]pyridin-3-yl]methyl]-2-pyridinyl]-N-[[4-(trifluoromethyl)phenyl]methyl]carbamate;ethane?

The InChIKey is IWEDVXBGOFKVMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H36F3N5O5.C2H6/c1-31(2,3)45-30(42)40(20-21-4-7-23(8-5-21)32(33,34)35)27-9-6-22(17-36-27)28(41)26-19-38-29-25(26)16-24(18-37-29)44-15-12-39-10-13-43-14-11-39;1-2/h4-9,16-19,28,41H,10-15,20H2,1-3H3,(H,37,38);1-2H3.

What are the key properties of tert-butyl N-[5-[hydroxy-[5-(2-morpholin-4-ylethoxy)-1H-pyrrolo[2,3-b]pyridin-3-yl]methyl]-2-pyridinyl]-N-[[4-(trifluoromethyl)phenyl]methyl]carbamate;ethane?

tert-butyl N-[5-[hydroxy-[5-(2-morpholin-4-ylethoxy)-1H-pyrrolo[2,3-b]pyridin-3-yl]methyl]-2-pyridinyl]-N-[[4-(trifluoromethyl)phenyl]methyl]carbamate;ethane has a molecular weight of 657.73 g/mol, XLogP of 6.74, 9 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for tert-butyl N-[5-[hydroxy-[5-(2-morpholin-4-ylethoxy)-1H-pyrrolo[2,3-b]pyridin-3-yl]methyl]-2-pyridinyl]-N-[[4-(trifluoromethyl)phenyl]methyl]carbamate;ethane is sourced from PubChem (CID 143399602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).