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

C24H28ClFN4O2 — CID 25161095

IUPAC2-(5-chloro-1H-indazol-7-yl)-2-[[4-(4-fluorophenyl)-1-methylpiperidin-4-yl]methoxy]-N,N-dimethylacetamide
SMILESCN1CCC(COC(C(=O)N(C)C)c2cc(Cl)cc3cn[nH]c23)(c2ccc(F)cc2)CC1
InChIInChI=1S/C24H28ClFN4O2/c1-29(2)23(31)22(20-13-18(25)12-16-14-27-28-21(16)20)32-15-24(8-10-30(3)11-9-24)17-4-6-19(26)7-5-17/h4-7,12-14,22H,8-11,15H2,1-3H3,(H,27,28)
InChIKeyDAUFZPSERQBXCL-UHFFFAOYSA-N
MW458.97 g/mol
LogP4.16
Rot. Bonds6

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

2-(5-chloro-1H-indazol-7-yl)-2-[[4-(4-fluorophenyl)-1-methylpiperidin-4-yl]methoxy]-N,N-dimethylacetamide (PubChem CID 25161095) has the molecular formula C24H28ClFN4O2 and a molecular weight of 458.97 g/mol. Its IUPAC name is 2-(5-chloro-1H-indazol-7-yl)-2-[[4-(4-fluorophenyl)-1-methylpiperidin-4-yl]methoxy]-N,N-dimethylacetamide.

Molecular Properties

Compound Name2-(5-chloro-1H-indazol-7-yl)-2-[[4-(4-fluorophenyl)-1-methylpiperidin-4-yl]methoxy]-N,N-dimethylacetamide
PubChem CID25161095
Molecular FormulaC24H28ClFN4O2
Molecular Weight458.97 g/mol
Exact Mass458.19
IUPAC Name2-(5-chloro-1H-indazol-7-yl)-2-[[4-(4-fluorophenyl)-1-methylpiperidin-4-yl]methoxy]-N,N-dimethylacetamide
SMILESCN1CCC(COC(C(=O)N(C)C)c2cc(Cl)cc3cn[nH]c23)(c2ccc(F)cc2)CC1
InChIInChI=1S/C24H28ClFN4O2/c1-29(2)23(31)22(20-13-18(25)12-16-14-27-28-21(16)20)32-15-24(8-10-30(3)11-9-24)17-4-6-19(26)7-5-17/h4-7,12-14,22H,8-11,15H2,1-3H3,(H,27,28)
InChIKeyDAUFZPSERQBXCL-UHFFFAOYSA-N
XLogP4.16
TPSA61.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500458.97
LogP ≤ 54.16
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-dimethylacetamide?
The IUPAC name of 2-(5-chloro-1H-indazol-7-yl)-2-[[4-(4-fluorophenyl)-1-methylpiperidin-4-yl]methoxy]-N,N-dimethylacetamide (CID 25161095) is 2-(5-chloro-1H-indazol-7-yl)-2-[[4-(4-fluorophenyl)-1-methylpiperidin-4-yl]methoxy]-N,N-dimethylacetamide.
What is the SMILES notation for 2-(5-chloro-1H-indazol-7-yl)-2-[[4-(4-fluorophenyl)-1-methylpiperidin-4-yl]methoxy]-N,N-dimethylacetamide?
The canonical SMILES for 2-(5-chloro-1H-indazol-7-yl)-2-[[4-(4-fluorophenyl)-1-methylpiperidin-4-yl]methoxy]-N,N-dimethylacetamide is CN1CCC(COC(C(=O)N(C)C)c2cc(Cl)cc3cn[nH]c23)(c2ccc(F)cc2)CC1.
What is the InChIKey of 2-(5-chloro-1H-indazol-7-yl)-2-[[4-(4-fluorophenyl)-1-methylpiperidin-4-yl]methoxy]-N,N-dimethylacetamide?
The InChIKey is DAUFZPSERQBXCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28ClFN4O2/c1-29(2)23(31)22(20-13-18(25)12-16-14-27-28-21(16)20)32-15-24(8-10-30(3)11-9-24)17-4-6-19(26)7-5-17/h4-7,12-14,22H,8-11,15H2,1-3H3,(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-dimethylacetamide?
2-(5-chloro-1H-indazol-7-yl)-2-[[4-(4-fluorophenyl)-1-methylpiperidin-4-yl]methoxy]-N,N-dimethylacetamide has a molecular weight of 458.97 g/mol, XLogP of 4.16, 6 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-dimethylacetamide is sourced from PubChem (CID 25161095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).