N-(6-chloro-3-methoxyfuro[2,3-b]pyrazin-2-yl)-4-[3-[2-(dimethylamino)ethoxy]-5-methoxyphenyl]piperazine-1-carboxamide

C23H29ClN6O5 — CID 138539523

About N-(6-chloro-3-methoxyfuro[2,3-b]pyrazin-2-yl)-4-[3-[2-(dimethylamino)ethoxy]-5-methoxyphenyl]piperazine-1-carboxamide

N-(6-chloro-3-methoxyfuro[2,3-b]pyrazin-2-yl)-4-[3-[2-(dimethylamino)ethoxy]-5-methoxyphenyl]piperazine-1-carboxamide (PubChem CID 138539523) has the molecular formula C23H29ClN6O5 and a molecular weight of 504.98 g/mol. Its IUPAC name is N-(6-chloro-3-methoxyfuro[2,3-b]pyrazin-2-yl)-4-[3-[2-(dimethylamino)ethoxy]-5-methoxyphenyl]piperazine-1-carboxamide.

Molecular Properties

• Compound Name: N-(6-chloro-3-methoxyfuro[2,3-b]pyrazin-2-yl)-4-[3-[2-(dimethylamino)ethoxy]-5-methoxyphenyl]piperazine-1-carboxamide
• PubChem CID: 138539523
• Molecular Formula: C23H29ClN6O5
• Molecular Weight: 504.98 g/mol
• Exact Mass: 504.19
• IUPAC Name: N-(6-chloro-3-methoxyfuro[2,3-b]pyrazin-2-yl)-4-[3-[2-(dimethylamino)ethoxy]-5-methoxyphenyl]piperazine-1-carboxamide
• SMILES: COc1cc(OCCN(C)C)cc(N2CCN(C(=O)Nc3nc4cc(Cl)oc4nc3OC)CC2)c1
• InChI: InChI=1S/C23H29ClN6O5/c1-28(2)9-10-34-17-12-15(11-16(13-17)32-3)29-5-7-30(8-6-29)23(31)26-20-22(33-4)27-21-18(25-20)14-19(24)35-21/h11-14H,5-10H2,1-4H3,(H,25,26,31)
• InChIKey: PJPAELJCANTAFH-UHFFFAOYSA-N
• XLogP: 3.19
• TPSA: 105.43 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 9
• Rotatable Bonds: 8
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	504.98
LogP ≤ 5	3.19
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of N-(6-chloro-3-methoxyfuro[2,3-b]pyrazin-2-yl)-4-[3-[2-(dimethylamino)ethoxy]-5-methoxyphenyl]piperazine-1-carboxamide?

The IUPAC name of N-(6-chloro-3-methoxyfuro[2,3-b]pyrazin-2-yl)-4-[3-[2-(dimethylamino)ethoxy]-5-methoxyphenyl]piperazine-1-carboxamide (CID 138539523) is N-(6-chloro-3-methoxyfuro[2,3-b]pyrazin-2-yl)-4-[3-[2-(dimethylamino)ethoxy]-5-methoxyphenyl]piperazine-1-carboxamide.

What is the SMILES notation for N-(6-chloro-3-methoxyfuro[2,3-b]pyrazin-2-yl)-4-[3-[2-(dimethylamino)ethoxy]-5-methoxyphenyl]piperazine-1-carboxamide?

The canonical SMILES for N-(6-chloro-3-methoxyfuro[2,3-b]pyrazin-2-yl)-4-[3-[2-(dimethylamino)ethoxy]-5-methoxyphenyl]piperazine-1-carboxamide is COc1cc(OCCN(C)C)cc(N2CCN(C(=O)Nc3nc4cc(Cl)oc4nc3OC)CC2)c1.

What is the InChIKey of N-(6-chloro-3-methoxyfuro[2,3-b]pyrazin-2-yl)-4-[3-[2-(dimethylamino)ethoxy]-5-methoxyphenyl]piperazine-1-carboxamide?

The InChIKey is PJPAELJCANTAFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29ClN6O5/c1-28(2)9-10-34-17-12-15(11-16(13-17)32-3)29-5-7-30(8-6-29)23(31)26-20-22(33-4)27-21-18(25-20)14-19(24)35-21/h11-14H,5-10H2,1-4H3,(H,25,26,31).

What are the key properties of N-(6-chloro-3-methoxyfuro[2,3-b]pyrazin-2-yl)-4-[3-[2-(dimethylamino)ethoxy]-5-methoxyphenyl]piperazine-1-carboxamide?

N-(6-chloro-3-methoxyfuro[2,3-b]pyrazin-2-yl)-4-[3-[2-(dimethylamino)ethoxy]-5-methoxyphenyl]piperazine-1-carboxamide has a molecular weight of 504.98 g/mol, XLogP of 3.19, 8 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for N-(6-chloro-3-methoxyfuro[2,3-b]pyrazin-2-yl)-4-[3-[2-(dimethylamino)ethoxy]-5-methoxyphenyl]piperazine-1-carboxamide is sourced from PubChem (CID 138539523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).