2-hydroxy-2-(4-methoxyphenyl)-N-[2-(4-methylpiperazin-1-yl)-4-(1H-pyrazol-4-yl)phenyl]acetamide

C23H27N5O3 — CID 117077618

IUPAC2-hydroxy-2-(4-methoxyphenyl)-N-[2-(4-methylpiperazin-1-yl)-4-(1H-pyrazol-4-yl)phenyl]acetamide
SMILESCOc1ccc(C(O)C(=O)Nc2ccc(-c3cn[nH]c3)cc2N2CCN(C)CC2)cc1
InChIInChI=1S/C23H27N5O3/c1-27-9-11-28(12-10-27)21-13-17(18-14-24-25-15-18)5-8-20(21)26-23(30)22(29)16-3-6-19(31-2)7-4-16/h3-8,13-15,22,29H,9-12H2,1-2H3,(H,24,25)(H,26,30)
InChIKeyWRQQQZKXTZREJF-UHFFFAOYSA-N
MW421.50 g/mol
LogP2.51
Rot. Bonds6

About 2-hydroxy-2-(4-methoxyphenyl)-N-[2-(4-methylpiperazin-1-yl)-4-(1H-pyrazol-4-yl)phenyl]acetamide

2-hydroxy-2-(4-methoxyphenyl)-N-[2-(4-methylpiperazin-1-yl)-4-(1H-pyrazol-4-yl)phenyl]acetamide (PubChem CID 117077618) has the molecular formula C23H27N5O3 and a molecular weight of 421.50 g/mol. Its IUPAC name is 2-hydroxy-2-(4-methoxyphenyl)-N-[2-(4-methylpiperazin-1-yl)-4-(1H-pyrazol-4-yl)phenyl]acetamide.

Molecular Properties

Compound Name2-hydroxy-2-(4-methoxyphenyl)-N-[2-(4-methylpiperazin-1-yl)-4-(1H-pyrazol-4-yl)phenyl]acetamide
PubChem CID117077618
Molecular FormulaC23H27N5O3
Molecular Weight421.50 g/mol
Exact Mass421.21
IUPAC Name2-hydroxy-2-(4-methoxyphenyl)-N-[2-(4-methylpiperazin-1-yl)-4-(1H-pyrazol-4-yl)phenyl]acetamide
SMILESCOc1ccc(C(O)C(=O)Nc2ccc(-c3cn[nH]c3)cc2N2CCN(C)CC2)cc1
InChIInChI=1S/C23H27N5O3/c1-27-9-11-28(12-10-27)21-13-17(18-14-24-25-15-18)5-8-20(21)26-23(30)22(29)16-3-6-19(31-2)7-4-16/h3-8,13-15,22,29H,9-12H2,1-2H3,(H,24,25)(H,26,30)
InChIKeyWRQQQZKXTZREJF-UHFFFAOYSA-N
XLogP2.51
TPSA93.72 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.50
LogP ≤ 52.51
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-2-(4-methoxyphenyl)-N-[2-(4-methylpiperazin-1-yl)-4-(1H-pyrazol-4-yl)phenyl]acetamide?
The IUPAC name of 2-hydroxy-2-(4-methoxyphenyl)-N-[2-(4-methylpiperazin-1-yl)-4-(1H-pyrazol-4-yl)phenyl]acetamide (CID 117077618) is 2-hydroxy-2-(4-methoxyphenyl)-N-[2-(4-methylpiperazin-1-yl)-4-(1H-pyrazol-4-yl)phenyl]acetamide.
What is the SMILES notation for 2-hydroxy-2-(4-methoxyphenyl)-N-[2-(4-methylpiperazin-1-yl)-4-(1H-pyrazol-4-yl)phenyl]acetamide?
The canonical SMILES for 2-hydroxy-2-(4-methoxyphenyl)-N-[2-(4-methylpiperazin-1-yl)-4-(1H-pyrazol-4-yl)phenyl]acetamide is COc1ccc(C(O)C(=O)Nc2ccc(-c3cn[nH]c3)cc2N2CCN(C)CC2)cc1.
What is the InChIKey of 2-hydroxy-2-(4-methoxyphenyl)-N-[2-(4-methylpiperazin-1-yl)-4-(1H-pyrazol-4-yl)phenyl]acetamide?
The InChIKey is WRQQQZKXTZREJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N5O3/c1-27-9-11-28(12-10-27)21-13-17(18-14-24-25-15-18)5-8-20(21)26-23(30)22(29)16-3-6-19(31-2)7-4-16/h3-8,13-15,22,29H,9-12H2,1-2H3,(H,24,25)(H,26,30).
What are the key properties of 2-hydroxy-2-(4-methoxyphenyl)-N-[2-(4-methylpiperazin-1-yl)-4-(1H-pyrazol-4-yl)phenyl]acetamide?
2-hydroxy-2-(4-methoxyphenyl)-N-[2-(4-methylpiperazin-1-yl)-4-(1H-pyrazol-4-yl)phenyl]acetamide has a molecular weight of 421.50 g/mol, XLogP of 2.51, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-2-(4-methoxyphenyl)-N-[2-(4-methylpiperazin-1-yl)-4-(1H-pyrazol-4-yl)phenyl]acetamide is sourced from PubChem (CID 117077618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).