5-[4-chloro-1-[2-[4-(4-chloro-3-methoxyphenyl)-2-methylpiperazin-1-yl]-2-oxoethyl]-5-methylpyrazol-3-yl]-N-methylpyridine-2-carboxamide

C25H28Cl2N6O3 — CID 68652907

IUPAC5-[4-chloro-1-[2-[4-(4-chloro-3-methoxyphenyl)-2-methylpiperazin-1-yl]-2-oxoethyl]-5-methylpyrazol-3-yl]-N-methylpyridine-2-carboxamide
SMILESCNC(=O)c1ccc(-c2nn(CC(=O)N3CCN(c4ccc(Cl)c(OC)c4)CC3C)c(C)c2Cl)cn1
InChIInChI=1S/C25H28Cl2N6O3/c1-15-13-31(18-6-7-19(26)21(11-18)36-4)9-10-32(15)22(34)14-33-16(2)23(27)24(30-33)17-5-8-20(29-12-17)25(35)28-3/h5-8,11-12,15H,9-10,13-14H2,1-4H3,(H,28,35)
InChIKeySTHOJMUAAVPXRF-UHFFFAOYSA-N
MW531.44 g/mol
LogP3.67
Rot. Bonds6

About 5-[4-chloro-1-[2-[4-(4-chloro-3-methoxyphenyl)-2-methylpiperazin-1-yl]-2-oxoethyl]-5-methylpyrazol-3-yl]-N-methylpyridine-2-carboxamide

5-[4-chloro-1-[2-[4-(4-chloro-3-methoxyphenyl)-2-methylpiperazin-1-yl]-2-oxoethyl]-5-methylpyrazol-3-yl]-N-methylpyridine-2-carboxamide (PubChem CID 68652907) has the molecular formula C25H28Cl2N6O3 and a molecular weight of 531.44 g/mol. Its IUPAC name is 5-[4-chloro-1-[2-[4-(4-chloro-3-methoxyphenyl)-2-methylpiperazin-1-yl]-2-oxoethyl]-5-methylpyrazol-3-yl]-N-methylpyridine-2-carboxamide.

Molecular Properties

Compound Name5-[4-chloro-1-[2-[4-(4-chloro-3-methoxyphenyl)-2-methylpiperazin-1-yl]-2-oxoethyl]-5-methylpyrazol-3-yl]-N-methylpyridine-2-carboxamide
PubChem CID68652907
Molecular FormulaC25H28Cl2N6O3
Molecular Weight531.44 g/mol
Exact Mass530.16
IUPAC Name5-[4-chloro-1-[2-[4-(4-chloro-3-methoxyphenyl)-2-methylpiperazin-1-yl]-2-oxoethyl]-5-methylpyrazol-3-yl]-N-methylpyridine-2-carboxamide
SMILESCNC(=O)c1ccc(-c2nn(CC(=O)N3CCN(c4ccc(Cl)c(OC)c4)CC3C)c(C)c2Cl)cn1
InChIInChI=1S/C25H28Cl2N6O3/c1-15-13-31(18-6-7-19(26)21(11-18)36-4)9-10-32(15)22(34)14-33-16(2)23(27)24(30-33)17-5-8-20(29-12-17)25(35)28-3/h5-8,11-12,15H,9-10,13-14H2,1-4H3,(H,28,35)
InChIKeySTHOJMUAAVPXRF-UHFFFAOYSA-N
XLogP3.67
TPSA92.59 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500531.44
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 5-[4-chloro-1-[2-[4-(4-chloro-3-methoxyphenyl)-2-methylpiperazin-1-yl]-2-oxoethyl]-5-methylpyrazol-3-yl]-N-methylpyridine-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-[4-chloro-1-[2-[4-(4-chloro-3-methoxyphenyl)-2-methylpiperazin-1-yl]-2-oxoethyl]-5-methylpyrazol-3-yl]-N-methylpyridine-2-carboxamide?
The IUPAC name of 5-[4-chloro-1-[2-[4-(4-chloro-3-methoxyphenyl)-2-methylpiperazin-1-yl]-2-oxoethyl]-5-methylpyrazol-3-yl]-N-methylpyridine-2-carboxamide (CID 68652907) is 5-[4-chloro-1-[2-[4-(4-chloro-3-methoxyphenyl)-2-methylpiperazin-1-yl]-2-oxoethyl]-5-methylpyrazol-3-yl]-N-methylpyridine-2-carboxamide.
What is the SMILES notation for 5-[4-chloro-1-[2-[4-(4-chloro-3-methoxyphenyl)-2-methylpiperazin-1-yl]-2-oxoethyl]-5-methylpyrazol-3-yl]-N-methylpyridine-2-carboxamide?
The canonical SMILES for 5-[4-chloro-1-[2-[4-(4-chloro-3-methoxyphenyl)-2-methylpiperazin-1-yl]-2-oxoethyl]-5-methylpyrazol-3-yl]-N-methylpyridine-2-carboxamide is CNC(=O)c1ccc(-c2nn(CC(=O)N3CCN(c4ccc(Cl)c(OC)c4)CC3C)c(C)c2Cl)cn1.
What is the InChIKey of 5-[4-chloro-1-[2-[4-(4-chloro-3-methoxyphenyl)-2-methylpiperazin-1-yl]-2-oxoethyl]-5-methylpyrazol-3-yl]-N-methylpyridine-2-carboxamide?
The InChIKey is STHOJMUAAVPXRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28Cl2N6O3/c1-15-13-31(18-6-7-19(26)21(11-18)36-4)9-10-32(15)22(34)14-33-16(2)23(27)24(30-33)17-5-8-20(29-12-17)25(35)28-3/h5-8,11-12,15H,9-10,13-14H2,1-4H3,(H,28,35).
What are the key properties of 5-[4-chloro-1-[2-[4-(4-chloro-3-methoxyphenyl)-2-methylpiperazin-1-yl]-2-oxoethyl]-5-methylpyrazol-3-yl]-N-methylpyridine-2-carboxamide?
5-[4-chloro-1-[2-[4-(4-chloro-3-methoxyphenyl)-2-methylpiperazin-1-yl]-2-oxoethyl]-5-methylpyrazol-3-yl]-N-methylpyridine-2-carboxamide has a molecular weight of 531.44 g/mol, XLogP of 3.67, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-chloro-1-[2-[4-(4-chloro-3-methoxyphenyl)-2-methylpiperazin-1-yl]-2-oxoethyl]-5-methylpyrazol-3-yl]-N-methylpyridine-2-carboxamide is sourced from PubChem (CID 68652907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).