5-chloro-4-(4-chloro-1-methylpyrazol-5-yl)-N-[6-[2-(methylamino)-2-oxoethyl]piperidin-3-yl]furan-2-carboxamide;1,2-dichlorobenzene

C23H25Cl4N5O3 — CID 144930069

About 5-chloro-4-(4-chloro-1-methylpyrazol-5-yl)-N-[6-[2-(methylamino)-2-oxoethyl]piperidin-3-yl]furan-2-carboxamide;1,2-dichlorobenzene

5-chloro-4-(4-chloro-1-methylpyrazol-5-yl)-N-[6-[2-(methylamino)-2-oxoethyl]piperidin-3-yl]furan-2-carboxamide;1,2-dichlorobenzene (PubChem CID 144930069) has the molecular formula C23H25Cl4N5O3 and a molecular weight of 561.30 g/mol. Its IUPAC name is 5-chloro-4-(4-chloro-1-methylpyrazol-5-yl)-N-[6-[2-(methylamino)-2-oxoethyl]piperidin-3-yl]furan-2-carboxamide;1,2-dichlorobenzene.

Molecular Properties

• Compound Name: 5-chloro-4-(4-chloro-1-methylpyrazol-5-yl)-N-[6-[2-(methylamino)-2-oxoethyl]piperidin-3-yl]furan-2-carboxamide;1,2-dichlorobenzene
• PubChem CID: 144930069
• Molecular Formula: C23H25Cl4N5O3
• Molecular Weight: 561.30 g/mol
• Exact Mass: 559.07
• IUPAC Name: 5-chloro-4-(4-chloro-1-methylpyrazol-5-yl)-N-[6-[2-(methylamino)-2-oxoethyl]piperidin-3-yl]furan-2-carboxamide;1,2-dichlorobenzene
• SMILES: CNC(=O)CC1CCC(NC(=O)c2cc(-c3c(Cl)cnn3C)c(Cl)o2)CN1.Clc1ccccc1Cl
• InChI: InChI=1S/C17H21Cl2N5O3.C6H4Cl2/c1-20-14(25)5-9-3-4-10(7-21-9)23-17(26)13-6-11(16(19)27-13)15-12(18)8-22-24(15)2;7-5-3-1-2-4-6(5)8/h6,8-10,21H,3-5,7H2,1-2H3,(H,20,25)(H,23,26);1-4H
• InChIKey: YEDAHDAINWAVMX-UHFFFAOYSA-N
• XLogP: 4.97
• TPSA: 101.19 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	561.30
LogP ≤ 5	4.97
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 5-chloro-4-(4-chloro-1-methylpyrazol-5-yl)-N-[6-[2-(methylamino)-2-oxoethyl]piperidin-3-yl]furan-2-carboxamide;1,2-dichlorobenzene?

The IUPAC name of 5-chloro-4-(4-chloro-1-methylpyrazol-5-yl)-N-[6-[2-(methylamino)-2-oxoethyl]piperidin-3-yl]furan-2-carboxamide;1,2-dichlorobenzene (CID 144930069) is 5-chloro-4-(4-chloro-1-methylpyrazol-5-yl)-N-[6-[2-(methylamino)-2-oxoethyl]piperidin-3-yl]furan-2-carboxamide;1,2-dichlorobenzene.

What is the SMILES notation for 5-chloro-4-(4-chloro-1-methylpyrazol-5-yl)-N-[6-[2-(methylamino)-2-oxoethyl]piperidin-3-yl]furan-2-carboxamide;1,2-dichlorobenzene?

The canonical SMILES for 5-chloro-4-(4-chloro-1-methylpyrazol-5-yl)-N-[6-[2-(methylamino)-2-oxoethyl]piperidin-3-yl]furan-2-carboxamide;1,2-dichlorobenzene is CNC(=O)CC1CCC(NC(=O)c2cc(-c3c(Cl)cnn3C)c(Cl)o2)CN1.Clc1ccccc1Cl.

What is the InChIKey of 5-chloro-4-(4-chloro-1-methylpyrazol-5-yl)-N-[6-[2-(methylamino)-2-oxoethyl]piperidin-3-yl]furan-2-carboxamide;1,2-dichlorobenzene?

The InChIKey is YEDAHDAINWAVMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21Cl2N5O3.C6H4Cl2/c1-20-14(25)5-9-3-4-10(7-21-9)23-17(26)13-6-11(16(19)27-13)15-12(18)8-22-24(15)2;7-5-3-1-2-4-6(5)8/h6,8-10,21H,3-5,7H2,1-2H3,(H,20,25)(H,23,26);1-4H.

What are the key properties of 5-chloro-4-(4-chloro-1-methylpyrazol-5-yl)-N-[6-[2-(methylamino)-2-oxoethyl]piperidin-3-yl]furan-2-carboxamide;1,2-dichlorobenzene?

5-chloro-4-(4-chloro-1-methylpyrazol-5-yl)-N-[6-[2-(methylamino)-2-oxoethyl]piperidin-3-yl]furan-2-carboxamide;1,2-dichlorobenzene has a molecular weight of 561.30 g/mol, XLogP of 4.97, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 5-chloro-4-(4-chloro-1-methylpyrazol-5-yl)-N-[6-[2-(methylamino)-2-oxoethyl]piperidin-3-yl]furan-2-carboxamide;1,2-dichlorobenzene is sourced from PubChem (CID 144930069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).