N-[(1R)-1-[3-hydroxy-5-(1-methylpyrazol-4-yl)phenyl]ethyl]-2-methyl-5-(4-methylpiperazin-1-yl)benzamide

C25H31N5O2 — CID 165116093

IUPACN-[(1R)-1-[3-hydroxy-5-(1-methylpyrazol-4-yl)phenyl]ethyl]-2-methyl-5-(4-methylpiperazin-1-yl)benzamide
SMILESCc1ccc(N2CCN(C)CC2)cc1C(=O)N[C@H](C)c1cc(O)cc(-c2cnn(C)c2)c1
InChIInChI=1S/C25H31N5O2/c1-17-5-6-22(30-9-7-28(3)8-10-30)14-24(17)25(32)27-18(2)19-11-20(13-23(31)12-19)21-15-26-29(4)16-21/h5-6,11-16,18,31H,7-10H2,1-4H3,(H,27,32)/t18-/m1/s1
InChIKeyUIWZOAHPORWKOH-GOSISDBHSA-N
MW433.56 g/mol
LogP3.34
Rot. Bonds5

About N-[(1R)-1-[3-hydroxy-5-(1-methylpyrazol-4-yl)phenyl]ethyl]-2-methyl-5-(4-methylpiperazin-1-yl)benzamide

N-[(1R)-1-[3-hydroxy-5-(1-methylpyrazol-4-yl)phenyl]ethyl]-2-methyl-5-(4-methylpiperazin-1-yl)benzamide (PubChem CID 165116093) has the molecular formula C25H31N5O2 and a molecular weight of 433.56 g/mol. Its IUPAC name is N-[(1R)-1-[3-hydroxy-5-(1-methylpyrazol-4-yl)phenyl]ethyl]-2-methyl-5-(4-methylpiperazin-1-yl)benzamide.

Molecular Properties

Compound NameN-[(1R)-1-[3-hydroxy-5-(1-methylpyrazol-4-yl)phenyl]ethyl]-2-methyl-5-(4-methylpiperazin-1-yl)benzamide
PubChem CID165116093
Molecular FormulaC25H31N5O2
Molecular Weight433.56 g/mol
Exact Mass433.25
IUPAC NameN-[(1R)-1-[3-hydroxy-5-(1-methylpyrazol-4-yl)phenyl]ethyl]-2-methyl-5-(4-methylpiperazin-1-yl)benzamide
SMILESCc1ccc(N2CCN(C)CC2)cc1C(=O)N[C@H](C)c1cc(O)cc(-c2cnn(C)c2)c1
InChIInChI=1S/C25H31N5O2/c1-17-5-6-22(30-9-7-28(3)8-10-30)14-24(17)25(32)27-18(2)19-11-20(13-23(31)12-19)21-15-26-29(4)16-21/h5-6,11-16,18,31H,7-10H2,1-4H3,(H,27,32)/t18-/m1/s1
InChIKeyUIWZOAHPORWKOH-GOSISDBHSA-N
XLogP3.34
TPSA73.63 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.56
LogP ≤ 53.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-[3-hydroxy-5-(1-methylpyrazol-4-yl)phenyl]ethyl]-2-methyl-5-(4-methylpiperazin-1-yl)benzamide?
The IUPAC name of N-[(1R)-1-[3-hydroxy-5-(1-methylpyrazol-4-yl)phenyl]ethyl]-2-methyl-5-(4-methylpiperazin-1-yl)benzamide (CID 165116093) is N-[(1R)-1-[3-hydroxy-5-(1-methylpyrazol-4-yl)phenyl]ethyl]-2-methyl-5-(4-methylpiperazin-1-yl)benzamide.
What is the SMILES notation for N-[(1R)-1-[3-hydroxy-5-(1-methylpyrazol-4-yl)phenyl]ethyl]-2-methyl-5-(4-methylpiperazin-1-yl)benzamide?
The canonical SMILES for N-[(1R)-1-[3-hydroxy-5-(1-methylpyrazol-4-yl)phenyl]ethyl]-2-methyl-5-(4-methylpiperazin-1-yl)benzamide is Cc1ccc(N2CCN(C)CC2)cc1C(=O)N[C@H](C)c1cc(O)cc(-c2cnn(C)c2)c1.
What is the InChIKey of N-[(1R)-1-[3-hydroxy-5-(1-methylpyrazol-4-yl)phenyl]ethyl]-2-methyl-5-(4-methylpiperazin-1-yl)benzamide?
The InChIKey is UIWZOAHPORWKOH-GOSISDBHSA-N. The full InChI is InChI=1S/C25H31N5O2/c1-17-5-6-22(30-9-7-28(3)8-10-30)14-24(17)25(32)27-18(2)19-11-20(13-23(31)12-19)21-15-26-29(4)16-21/h5-6,11-16,18,31H,7-10H2,1-4H3,(H,27,32)/t18-/m1/s1.
What are the key properties of N-[(1R)-1-[3-hydroxy-5-(1-methylpyrazol-4-yl)phenyl]ethyl]-2-methyl-5-(4-methylpiperazin-1-yl)benzamide?
N-[(1R)-1-[3-hydroxy-5-(1-methylpyrazol-4-yl)phenyl]ethyl]-2-methyl-5-(4-methylpiperazin-1-yl)benzamide has a molecular weight of 433.56 g/mol, XLogP of 3.34, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1-[3-hydroxy-5-(1-methylpyrazol-4-yl)phenyl]ethyl]-2-methyl-5-(4-methylpiperazin-1-yl)benzamide is sourced from PubChem (CID 165116093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).