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

C23H28ClFN4O — CID 25159408

IUPAC2-(5-chloro-1H-indazol-7-yl)-2-[[4-(4-fluorophenyl)piperidin-4-yl]methoxy]-N,N-dimethylethanamine
SMILESCN(C)CC(OCC1(c2ccc(F)cc2)CCNCC1)c1cc(Cl)cc2cn[nH]c12
InChIInChI=1S/C23H28ClFN4O/c1-29(2)14-21(20-12-18(24)11-16-13-27-28-22(16)20)30-15-23(7-9-26-10-8-23)17-3-5-19(25)6-4-17/h3-6,11-13,21,26H,7-10,14-15H2,1-2H3,(H,27,28)
InChIKeyYXQGVONPIVCRAT-UHFFFAOYSA-N
MW430.96 g/mol
LogP4.30
Rot. Bonds7

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

2-(5-chloro-1H-indazol-7-yl)-2-[[4-(4-fluorophenyl)piperidin-4-yl]methoxy]-N,N-dimethylethanamine (PubChem CID 25159408) has the molecular formula C23H28ClFN4O and a molecular weight of 430.96 g/mol. Its IUPAC name is 2-(5-chloro-1H-indazol-7-yl)-2-[[4-(4-fluorophenyl)piperidin-4-yl]methoxy]-N,N-dimethylethanamine.

Molecular Properties

Compound Name2-(5-chloro-1H-indazol-7-yl)-2-[[4-(4-fluorophenyl)piperidin-4-yl]methoxy]-N,N-dimethylethanamine
PubChem CID25159408
Molecular FormulaC23H28ClFN4O
Molecular Weight430.96 g/mol
Exact Mass430.19
IUPAC Name2-(5-chloro-1H-indazol-7-yl)-2-[[4-(4-fluorophenyl)piperidin-4-yl]methoxy]-N,N-dimethylethanamine
SMILESCN(C)CC(OCC1(c2ccc(F)cc2)CCNCC1)c1cc(Cl)cc2cn[nH]c12
InChIInChI=1S/C23H28ClFN4O/c1-29(2)14-21(20-12-18(24)11-16-13-27-28-22(16)20)30-15-23(7-9-26-10-8-23)17-3-5-19(25)6-4-17/h3-6,11-13,21,26H,7-10,14-15H2,1-2H3,(H,27,28)
InChIKeyYXQGVONPIVCRAT-UHFFFAOYSA-N
XLogP4.30
TPSA53.18 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.96
LogP ≤ 54.30
H-Bond Donors ≤ 52
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)piperidin-4-yl]methoxy]-N,N-dimethylethanamine?
The IUPAC name of 2-(5-chloro-1H-indazol-7-yl)-2-[[4-(4-fluorophenyl)piperidin-4-yl]methoxy]-N,N-dimethylethanamine (CID 25159408) is 2-(5-chloro-1H-indazol-7-yl)-2-[[4-(4-fluorophenyl)piperidin-4-yl]methoxy]-N,N-dimethylethanamine.
What is the SMILES notation for 2-(5-chloro-1H-indazol-7-yl)-2-[[4-(4-fluorophenyl)piperidin-4-yl]methoxy]-N,N-dimethylethanamine?
The canonical SMILES for 2-(5-chloro-1H-indazol-7-yl)-2-[[4-(4-fluorophenyl)piperidin-4-yl]methoxy]-N,N-dimethylethanamine is CN(C)CC(OCC1(c2ccc(F)cc2)CCNCC1)c1cc(Cl)cc2cn[nH]c12.
What is the InChIKey of 2-(5-chloro-1H-indazol-7-yl)-2-[[4-(4-fluorophenyl)piperidin-4-yl]methoxy]-N,N-dimethylethanamine?
The InChIKey is YXQGVONPIVCRAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28ClFN4O/c1-29(2)14-21(20-12-18(24)11-16-13-27-28-22(16)20)30-15-23(7-9-26-10-8-23)17-3-5-19(25)6-4-17/h3-6,11-13,21,26H,7-10,14-15H2,1-2H3,(H,27,28).
What are the key properties of 2-(5-chloro-1H-indazol-7-yl)-2-[[4-(4-fluorophenyl)piperidin-4-yl]methoxy]-N,N-dimethylethanamine?
2-(5-chloro-1H-indazol-7-yl)-2-[[4-(4-fluorophenyl)piperidin-4-yl]methoxy]-N,N-dimethylethanamine has a molecular weight of 430.96 g/mol, XLogP of 4.30, 7 rotatable bonds, 2 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)piperidin-4-yl]methoxy]-N,N-dimethylethanamine is sourced from PubChem (CID 25159408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).