methyl N-[2-oxo-2-[2-[2-[(2R,5R)-5-(1H-pyrrolo[2,3-b]pyridin-2-yl)morpholin-2-yl]ethyl]anilino]ethyl]carbamate

C23H27N5O4 — CID 144871012

About methyl N-[2-oxo-2-[2-[2-[(2R,5R)-5-(1H-pyrrolo[2,3-b]pyridin-2-yl)morpholin-2-yl]ethyl]anilino]ethyl]carbamate

methyl N-[2-oxo-2-[2-[2-[(2R,5R)-5-(1H-pyrrolo[2,3-b]pyridin-2-yl)morpholin-2-yl]ethyl]anilino]ethyl]carbamate (PubChem CID 144871012) has the molecular formula C23H27N5O4 and a molecular weight of 437.50 g/mol. Its IUPAC name is methyl N-[2-oxo-2-[2-[2-[(2R,5R)-5-(1H-pyrrolo[2,3-b]pyridin-2-yl)morpholin-2-yl]ethyl]anilino]ethyl]carbamate.

Molecular Properties

• Compound Name: methyl N-[2-oxo-2-[2-[2-[(2R,5R)-5-(1H-pyrrolo[2,3-b]pyridin-2-yl)morpholin-2-yl]ethyl]anilino]ethyl]carbamate
• PubChem CID: 144871012
• Molecular Formula: C23H27N5O4
• Molecular Weight: 437.50 g/mol
• Exact Mass: 437.21
• IUPAC Name: methyl N-[2-oxo-2-[2-[2-[(2R,5R)-5-(1H-pyrrolo[2,3-b]pyridin-2-yl)morpholin-2-yl]ethyl]anilino]ethyl]carbamate
• SMILES: COC(=O)NCC(=O)Nc1ccccc1CC[C@@H]1CN[C@H](c2cc3cccnc3[nH]2)CO1
• InChI: InChI=1S/C23H27N5O4/c1-31-23(30)26-13-21(29)27-18-7-3-2-5-15(18)8-9-17-12-25-20(14-32-17)19-11-16-6-4-10-24-22(16)28-19/h2-7,10-11,17,20,25H,8-9,12-14H2,1H3,(H,24,28)(H,26,30)(H,27,29)/t17-,20+/m1/s1
• InChIKey: HRMVSUFJVRWQRY-XLIONFOSSA-N
• XLogP: 2.52
• TPSA: 117.37 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 6
• Rotatable Bonds: 7
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	437.50
LogP ≤ 5	2.52
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of methyl N-[2-oxo-2-[2-[2-[(2R,5R)-5-(1H-pyrrolo[2,3-b]pyridin-2-yl)morpholin-2-yl]ethyl]anilino]ethyl]carbamate?

The IUPAC name of methyl N-[2-oxo-2-[2-[2-[(2R,5R)-5-(1H-pyrrolo[2,3-b]pyridin-2-yl)morpholin-2-yl]ethyl]anilino]ethyl]carbamate (CID 144871012) is methyl N-[2-oxo-2-[2-[2-[(2R,5R)-5-(1H-pyrrolo[2,3-b]pyridin-2-yl)morpholin-2-yl]ethyl]anilino]ethyl]carbamate.

What is the SMILES notation for methyl N-[2-oxo-2-[2-[2-[(2R,5R)-5-(1H-pyrrolo[2,3-b]pyridin-2-yl)morpholin-2-yl]ethyl]anilino]ethyl]carbamate?

The canonical SMILES for methyl N-[2-oxo-2-[2-[2-[(2R,5R)-5-(1H-pyrrolo[2,3-b]pyridin-2-yl)morpholin-2-yl]ethyl]anilino]ethyl]carbamate is COC(=O)NCC(=O)Nc1ccccc1CC[C@@H]1CN[C@H](c2cc3cccnc3[nH]2)CO1.

What is the InChIKey of methyl N-[2-oxo-2-[2-[2-[(2R,5R)-5-(1H-pyrrolo[2,3-b]pyridin-2-yl)morpholin-2-yl]ethyl]anilino]ethyl]carbamate?

The InChIKey is HRMVSUFJVRWQRY-XLIONFOSSA-N. The full InChI is InChI=1S/C23H27N5O4/c1-31-23(30)26-13-21(29)27-18-7-3-2-5-15(18)8-9-17-12-25-20(14-32-17)19-11-16-6-4-10-24-22(16)28-19/h2-7,10-11,17,20,25H,8-9,12-14H2,1H3,(H,24,28)(H,26,30)(H,27,29)/t17-,20+/m1/s1.

What are the key properties of methyl N-[2-oxo-2-[2-[2-[(2R,5R)-5-(1H-pyrrolo[2,3-b]pyridin-2-yl)morpholin-2-yl]ethyl]anilino]ethyl]carbamate?

methyl N-[2-oxo-2-[2-[2-[(2R,5R)-5-(1H-pyrrolo[2,3-b]pyridin-2-yl)morpholin-2-yl]ethyl]anilino]ethyl]carbamate has a molecular weight of 437.50 g/mol, XLogP of 2.52, 7 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for methyl N-[2-oxo-2-[2-[2-[(2R,5R)-5-(1H-pyrrolo[2,3-b]pyridin-2-yl)morpholin-2-yl]ethyl]anilino]ethyl]carbamate is sourced from PubChem (CID 144871012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).