2-(5-chloro-1H-indazol-7-yl)-2-[[4-(4-fluorophenyl)-1-methylpiperidin-4-yl]methoxy]-N,N-dimethylethanamine

C24H30ClFN4O — CID 25159407

IUPAC2-(5-chloro-1H-indazol-7-yl)-2-[[4-(4-fluorophenyl)-1-methylpiperidin-4-yl]methoxy]-N,N-dimethylethanamine
SMILESCN(C)CC(OCC1(c2ccc(F)cc2)CCN(C)CC1)c1cc(Cl)cc2cn[nH]c12
InChIInChI=1S/C24H30ClFN4O/c1-29(2)15-22(21-13-19(25)12-17-14-27-28-23(17)21)31-16-24(8-10-30(3)11-9-24)18-4-6-20(26)7-5-18/h4-7,12-14,22H,8-11,15-16H2,1-3H3,(H,27,28)
InChIKeyGHCFHNMQYFTVOK-UHFFFAOYSA-N
MW444.98 g/mol
LogP4.64
Rot. Bonds7

About 2-(5-chloro-1H-indazol-7-yl)-2-[[4-(4-fluorophenyl)-1-methylpiperidin-4-yl]methoxy]-N,N-dimethylethanamine

2-(5-chloro-1H-indazol-7-yl)-2-[[4-(4-fluorophenyl)-1-methylpiperidin-4-yl]methoxy]-N,N-dimethylethanamine (PubChem CID 25159407) has the molecular formula C24H30ClFN4O and a molecular weight of 444.98 g/mol. Its IUPAC name is 2-(5-chloro-1H-indazol-7-yl)-2-[[4-(4-fluorophenyl)-1-methylpiperidin-4-yl]methoxy]-N,N-dimethylethanamine.

Molecular Properties

Compound Name2-(5-chloro-1H-indazol-7-yl)-2-[[4-(4-fluorophenyl)-1-methylpiperidin-4-yl]methoxy]-N,N-dimethylethanamine
PubChem CID25159407
Molecular FormulaC24H30ClFN4O
Molecular Weight444.98 g/mol
Exact Mass444.21
IUPAC Name2-(5-chloro-1H-indazol-7-yl)-2-[[4-(4-fluorophenyl)-1-methylpiperidin-4-yl]methoxy]-N,N-dimethylethanamine
SMILESCN(C)CC(OCC1(c2ccc(F)cc2)CCN(C)CC1)c1cc(Cl)cc2cn[nH]c12
InChIInChI=1S/C24H30ClFN4O/c1-29(2)15-22(21-13-19(25)12-17-14-27-28-23(17)21)31-16-24(8-10-30(3)11-9-24)18-4-6-20(26)7-5-18/h4-7,12-14,22H,8-11,15-16H2,1-3H3,(H,27,28)
InChIKeyGHCFHNMQYFTVOK-UHFFFAOYSA-N
XLogP4.64
TPSA44.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.98
LogP ≤ 54.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(5-chloro-1H-indazol-7-yl)-2-[[4-(4-fluorophenyl)-1-methylpiperidin-4-yl]methoxy]-N,N-dimethylethanamine?
The IUPAC name of 2-(5-chloro-1H-indazol-7-yl)-2-[[4-(4-fluorophenyl)-1-methylpiperidin-4-yl]methoxy]-N,N-dimethylethanamine (CID 25159407) is 2-(5-chloro-1H-indazol-7-yl)-2-[[4-(4-fluorophenyl)-1-methylpiperidin-4-yl]methoxy]-N,N-dimethylethanamine.
What is the SMILES notation for 2-(5-chloro-1H-indazol-7-yl)-2-[[4-(4-fluorophenyl)-1-methylpiperidin-4-yl]methoxy]-N,N-dimethylethanamine?
The canonical SMILES for 2-(5-chloro-1H-indazol-7-yl)-2-[[4-(4-fluorophenyl)-1-methylpiperidin-4-yl]methoxy]-N,N-dimethylethanamine is CN(C)CC(OCC1(c2ccc(F)cc2)CCN(C)CC1)c1cc(Cl)cc2cn[nH]c12.
What is the InChIKey of 2-(5-chloro-1H-indazol-7-yl)-2-[[4-(4-fluorophenyl)-1-methylpiperidin-4-yl]methoxy]-N,N-dimethylethanamine?
The InChIKey is GHCFHNMQYFTVOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30ClFN4O/c1-29(2)15-22(21-13-19(25)12-17-14-27-28-23(17)21)31-16-24(8-10-30(3)11-9-24)18-4-6-20(26)7-5-18/h4-7,12-14,22H,8-11,15-16H2,1-3H3,(H,27,28).
What are the key properties of 2-(5-chloro-1H-indazol-7-yl)-2-[[4-(4-fluorophenyl)-1-methylpiperidin-4-yl]methoxy]-N,N-dimethylethanamine?
2-(5-chloro-1H-indazol-7-yl)-2-[[4-(4-fluorophenyl)-1-methylpiperidin-4-yl]methoxy]-N,N-dimethylethanamine has a molecular weight of 444.98 g/mol, XLogP of 4.64, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-chloro-1H-indazol-7-yl)-2-[[4-(4-fluorophenyl)-1-methylpiperidin-4-yl]methoxy]-N,N-dimethylethanamine is sourced from PubChem (CID 25159407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).