3-(4-bromo-1-methylpyrazol-5-yl)-N-(4-chlorophenyl)-4-[(1-methylpiperidin-4-yl)methoxy]aniline;3-(4-bromo-1-methylpyrazol-5-yl)-N-(4-chlorophenyl)-4-(piperidin-4-ylmethoxy)aniline

C45H50Br2Cl2N8O2 — CID 162074403

IUPAC3-(4-bromo-1-methylpyrazol-5-yl)-N-(4-chlorophenyl)-4-[(1-methylpiperidin-4-yl)methoxy]aniline;3-(4-bromo-1-methylpyrazol-5-yl)-N-(4-chlorophenyl)-4-(piperidin-4-ylmethoxy)aniline
SMILESCN1CCC(COc2ccc(Nc3ccc(Cl)cc3)cc2-c2c(Br)cnn2C)CC1.Cn1ncc(Br)c1-c1cc(Nc2ccc(Cl)cc2)ccc1OCC1CCNCC1
InChIInChI=1S/C23H26BrClN4O.C22H24BrClN4O/c1-28-11-9-16(10-12-28)15-30-22-8-7-19(27-18-5-3-17(25)4-6-18)13-20(22)23-21(24)14-26-29(23)2;1-28-22(20(23)13-26-28)19-12-18(27-17-4-2-16(24)3-5-17)6-7-21(19)29-14-15-8-10-25-11-9-15/h3-8,13-14,16,27H,9-12,15H2,1-2H3;2-7,12-13,15,25,27H,8-11,14H2,1H3
InChIKeyZBNBRWHXTQQHGO-UHFFFAOYSA-N
MW965.66 g/mol
LogP11.59
Rot. Bonds12

About 3-(4-bromo-1-methylpyrazol-5-yl)-N-(4-chlorophenyl)-4-[(1-methylpiperidin-4-yl)methoxy]aniline;3-(4-bromo-1-methylpyrazol-5-yl)-N-(4-chlorophenyl)-4-(piperidin-4-ylmethoxy)aniline

3-(4-bromo-1-methylpyrazol-5-yl)-N-(4-chlorophenyl)-4-[(1-methylpiperidin-4-yl)methoxy]aniline;3-(4-bromo-1-methylpyrazol-5-yl)-N-(4-chlorophenyl)-4-(piperidin-4-ylmethoxy)aniline (PubChem CID 162074403) has the molecular formula C45H50Br2Cl2N8O2 and a molecular weight of 965.66 g/mol. Its IUPAC name is 3-(4-bromo-1-methylpyrazol-5-yl)-N-(4-chlorophenyl)-4-[(1-methylpiperidin-4-yl)methoxy]aniline;3-(4-bromo-1-methylpyrazol-5-yl)-N-(4-chlorophenyl)-4-(piperidin-4-ylmethoxy)aniline.

Molecular Properties

Compound Name3-(4-bromo-1-methylpyrazol-5-yl)-N-(4-chlorophenyl)-4-[(1-methylpiperidin-4-yl)methoxy]aniline;3-(4-bromo-1-methylpyrazol-5-yl)-N-(4-chlorophenyl)-4-(piperidin-4-ylmethoxy)aniline
PubChem CID162074403
Molecular FormulaC45H50Br2Cl2N8O2
Molecular Weight965.66 g/mol
Exact Mass962.18
IUPAC Name3-(4-bromo-1-methylpyrazol-5-yl)-N-(4-chlorophenyl)-4-[(1-methylpiperidin-4-yl)methoxy]aniline;3-(4-bromo-1-methylpyrazol-5-yl)-N-(4-chlorophenyl)-4-(piperidin-4-ylmethoxy)aniline
SMILESCN1CCC(COc2ccc(Nc3ccc(Cl)cc3)cc2-c2c(Br)cnn2C)CC1.Cn1ncc(Br)c1-c1cc(Nc2ccc(Cl)cc2)ccc1OCC1CCNCC1
InChIInChI=1S/C23H26BrClN4O.C22H24BrClN4O/c1-28-11-9-16(10-12-28)15-30-22-8-7-19(27-18-5-3-17(25)4-6-18)13-20(22)23-21(24)14-26-29(23)2;1-28-22(20(23)13-26-28)19-12-18(27-17-4-2-16(24)3-5-17)6-7-21(19)29-14-15-8-10-25-11-9-15/h3-8,13-14,16,27H,9-12,15H2,1-2H3;2-7,12-13,15,25,27H,8-11,14H2,1H3
InChIKeyZBNBRWHXTQQHGO-UHFFFAOYSA-N
XLogP11.59
TPSA93.43 Ų
H-Bond Donors3
H-Bond Acceptors10
Rotatable Bonds12
Heavy Atoms59
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500965.66
LogP ≤ 511.59
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1010

Analyze 3-(4-bromo-1-methylpyrazol-5-yl)-N-(4-chlorophenyl)-4-[(1-methylpiperidin-4-yl)methoxy]aniline;3-(4-bromo-1-methylpyrazol-5-yl)-N-(4-chlorophenyl)-4-(piperidin-4-ylmethoxy)aniline 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 3-(4-bromo-1-methylpyrazol-5-yl)-N-(4-chlorophenyl)-4-[(1-methylpiperidin-4-yl)methoxy]aniline;3-(4-bromo-1-methylpyrazol-5-yl)-N-(4-chlorophenyl)-4-(piperidin-4-ylmethoxy)aniline?
The IUPAC name of 3-(4-bromo-1-methylpyrazol-5-yl)-N-(4-chlorophenyl)-4-[(1-methylpiperidin-4-yl)methoxy]aniline;3-(4-bromo-1-methylpyrazol-5-yl)-N-(4-chlorophenyl)-4-(piperidin-4-ylmethoxy)aniline (CID 162074403) is 3-(4-bromo-1-methylpyrazol-5-yl)-N-(4-chlorophenyl)-4-[(1-methylpiperidin-4-yl)methoxy]aniline;3-(4-bromo-1-methylpyrazol-5-yl)-N-(4-chlorophenyl)-4-(piperidin-4-ylmethoxy)aniline.
What is the SMILES notation for 3-(4-bromo-1-methylpyrazol-5-yl)-N-(4-chlorophenyl)-4-[(1-methylpiperidin-4-yl)methoxy]aniline;3-(4-bromo-1-methylpyrazol-5-yl)-N-(4-chlorophenyl)-4-(piperidin-4-ylmethoxy)aniline?
The canonical SMILES for 3-(4-bromo-1-methylpyrazol-5-yl)-N-(4-chlorophenyl)-4-[(1-methylpiperidin-4-yl)methoxy]aniline;3-(4-bromo-1-methylpyrazol-5-yl)-N-(4-chlorophenyl)-4-(piperidin-4-ylmethoxy)aniline is CN1CCC(COc2ccc(Nc3ccc(Cl)cc3)cc2-c2c(Br)cnn2C)CC1.Cn1ncc(Br)c1-c1cc(Nc2ccc(Cl)cc2)ccc1OCC1CCNCC1.
What is the InChIKey of 3-(4-bromo-1-methylpyrazol-5-yl)-N-(4-chlorophenyl)-4-[(1-methylpiperidin-4-yl)methoxy]aniline;3-(4-bromo-1-methylpyrazol-5-yl)-N-(4-chlorophenyl)-4-(piperidin-4-ylmethoxy)aniline?
The InChIKey is ZBNBRWHXTQQHGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26BrClN4O.C22H24BrClN4O/c1-28-11-9-16(10-12-28)15-30-22-8-7-19(27-18-5-3-17(25)4-6-18)13-20(22)23-21(24)14-26-29(23)2;1-28-22(20(23)13-26-28)19-12-18(27-17-4-2-16(24)3-5-17)6-7-21(19)29-14-15-8-10-25-11-9-15/h3-8,13-14,16,27H,9-12,15H2,1-2H3;2-7,12-13,15,25,27H,8-11,14H2,1H3.
What are the key properties of 3-(4-bromo-1-methylpyrazol-5-yl)-N-(4-chlorophenyl)-4-[(1-methylpiperidin-4-yl)methoxy]aniline;3-(4-bromo-1-methylpyrazol-5-yl)-N-(4-chlorophenyl)-4-(piperidin-4-ylmethoxy)aniline?
3-(4-bromo-1-methylpyrazol-5-yl)-N-(4-chlorophenyl)-4-[(1-methylpiperidin-4-yl)methoxy]aniline;3-(4-bromo-1-methylpyrazol-5-yl)-N-(4-chlorophenyl)-4-(piperidin-4-ylmethoxy)aniline has a molecular weight of 965.66 g/mol, XLogP of 11.59, 12 rotatable bonds, 3 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-bromo-1-methylpyrazol-5-yl)-N-(4-chlorophenyl)-4-[(1-methylpiperidin-4-yl)methoxy]aniline;3-(4-bromo-1-methylpyrazol-5-yl)-N-(4-chlorophenyl)-4-(piperidin-4-ylmethoxy)aniline is sourced from PubChem (CID 162074403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).