furan-2-ylmethyl N-[2-(dimethylcarbamoyl)-4-[3-(2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]carbamate

C29H26N4O5 — CID 25060286

About furan-2-ylmethyl N-[2-(dimethylcarbamoyl)-4-[3-(2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]carbamate

furan-2-ylmethyl N-[2-(dimethylcarbamoyl)-4-[3-(2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]carbamate (PubChem CID 25060286) has the molecular formula C29H26N4O5 and a molecular weight of 510.55 g/mol. Its IUPAC name is furan-2-ylmethyl N-[2-(dimethylcarbamoyl)-4-[3-(2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]carbamate.

Molecular Properties

• Compound Name: furan-2-ylmethyl N-[2-(dimethylcarbamoyl)-4-[3-(2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]carbamate
• PubChem CID: 25060286
• Molecular Formula: C29H26N4O5
• Molecular Weight: 510.55 g/mol
• Exact Mass: 510.19
• IUPAC Name: furan-2-ylmethyl N-[2-(dimethylcarbamoyl)-4-[3-(2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]carbamate
• SMILES: COc1ccccc1-c1c[nH]c2ncc(-c3ccc(NC(=O)OCc4ccco4)c(C(=O)N(C)C)c3)cc12
• InChI: InChI=1S/C29H26N4O5/c1-33(2)28(34)23-13-18(10-11-25(23)32-29(35)38-17-20-7-6-12-37-20)19-14-22-24(16-31-27(22)30-15-19)21-8-4-5-9-26(21)36-3/h4-16H,17H2,1-3H3,(H,30,31)(H,32,35)
• InChIKey: QJLWMNAOWKTKNF-UHFFFAOYSA-N
• XLogP: 5.95
• TPSA: 109.69 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 7
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	510.55
LogP ≤ 5	5.95
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of furan-2-ylmethyl N-[2-(dimethylcarbamoyl)-4-[3-(2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]carbamate?

The IUPAC name of furan-2-ylmethyl N-[2-(dimethylcarbamoyl)-4-[3-(2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]carbamate (CID 25060286) is furan-2-ylmethyl N-[2-(dimethylcarbamoyl)-4-[3-(2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]carbamate.

What is the SMILES notation for furan-2-ylmethyl N-[2-(dimethylcarbamoyl)-4-[3-(2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]carbamate?

The canonical SMILES for furan-2-ylmethyl N-[2-(dimethylcarbamoyl)-4-[3-(2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]carbamate is COc1ccccc1-c1c[nH]c2ncc(-c3ccc(NC(=O)OCc4ccco4)c(C(=O)N(C)C)c3)cc12.

What is the InChIKey of furan-2-ylmethyl N-[2-(dimethylcarbamoyl)-4-[3-(2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]carbamate?

The InChIKey is QJLWMNAOWKTKNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H26N4O5/c1-33(2)28(34)23-13-18(10-11-25(23)32-29(35)38-17-20-7-6-12-37-20)19-14-22-24(16-31-27(22)30-15-19)21-8-4-5-9-26(21)36-3/h4-16H,17H2,1-3H3,(H,30,31)(H,32,35).

What are the key properties of furan-2-ylmethyl N-[2-(dimethylcarbamoyl)-4-[3-(2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]carbamate?

furan-2-ylmethyl N-[2-(dimethylcarbamoyl)-4-[3-(2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]carbamate has a molecular weight of 510.55 g/mol, XLogP of 5.95, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for furan-2-ylmethyl N-[2-(dimethylcarbamoyl)-4-[3-(2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]carbamate is sourced from PubChem (CID 25060286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).