5-chloro-2-ethyl-7-[[4-(4-fluorophenyl)-1-methylpiperidin-4-yl]methoxymethyl]indazole

C23H27ClFN3O — CID 143744707

IUPAC5-chloro-2-ethyl-7-[[4-(4-fluorophenyl)-1-methylpiperidin-4-yl]methoxymethyl]indazole
SMILESCCn1cc2cc(Cl)cc(COCC3(c4ccc(F)cc4)CCN(C)CC3)c2n1
InChIInChI=1S/C23H27ClFN3O/c1-3-28-14-17-12-20(24)13-18(22(17)26-28)15-29-16-23(8-10-27(2)11-9-23)19-4-6-21(25)7-5-19/h4-7,12-14H,3,8-11,15-16H2,1-2H3
InChIKeyRPHMHTZILURWRY-UHFFFAOYSA-N
MW415.94 g/mol
LogP5.03
Rot. Bonds6

About 5-chloro-2-ethyl-7-[[4-(4-fluorophenyl)-1-methylpiperidin-4-yl]methoxymethyl]indazole

5-chloro-2-ethyl-7-[[4-(4-fluorophenyl)-1-methylpiperidin-4-yl]methoxymethyl]indazole (PubChem CID 143744707) has the molecular formula C23H27ClFN3O and a molecular weight of 415.94 g/mol. Its IUPAC name is 5-chloro-2-ethyl-7-[[4-(4-fluorophenyl)-1-methylpiperidin-4-yl]methoxymethyl]indazole.

Molecular Properties

Compound Name5-chloro-2-ethyl-7-[[4-(4-fluorophenyl)-1-methylpiperidin-4-yl]methoxymethyl]indazole
PubChem CID143744707
Molecular FormulaC23H27ClFN3O
Molecular Weight415.94 g/mol
Exact Mass415.18
IUPAC Name5-chloro-2-ethyl-7-[[4-(4-fluorophenyl)-1-methylpiperidin-4-yl]methoxymethyl]indazole
SMILESCCn1cc2cc(Cl)cc(COCC3(c4ccc(F)cc4)CCN(C)CC3)c2n1
InChIInChI=1S/C23H27ClFN3O/c1-3-28-14-17-12-20(24)13-18(22(17)26-28)15-29-16-23(8-10-27(2)11-9-23)19-4-6-21(25)7-5-19/h4-7,12-14H,3,8-11,15-16H2,1-2H3
InChIKeyRPHMHTZILURWRY-UHFFFAOYSA-N
XLogP5.03
TPSA30.29 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500415.94
LogP ≤ 55.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-ethyl-7-[[4-(4-fluorophenyl)-1-methylpiperidin-4-yl]methoxymethyl]indazole?
The IUPAC name of 5-chloro-2-ethyl-7-[[4-(4-fluorophenyl)-1-methylpiperidin-4-yl]methoxymethyl]indazole (CID 143744707) is 5-chloro-2-ethyl-7-[[4-(4-fluorophenyl)-1-methylpiperidin-4-yl]methoxymethyl]indazole.
What is the SMILES notation for 5-chloro-2-ethyl-7-[[4-(4-fluorophenyl)-1-methylpiperidin-4-yl]methoxymethyl]indazole?
The canonical SMILES for 5-chloro-2-ethyl-7-[[4-(4-fluorophenyl)-1-methylpiperidin-4-yl]methoxymethyl]indazole is CCn1cc2cc(Cl)cc(COCC3(c4ccc(F)cc4)CCN(C)CC3)c2n1.
What is the InChIKey of 5-chloro-2-ethyl-7-[[4-(4-fluorophenyl)-1-methylpiperidin-4-yl]methoxymethyl]indazole?
The InChIKey is RPHMHTZILURWRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27ClFN3O/c1-3-28-14-17-12-20(24)13-18(22(17)26-28)15-29-16-23(8-10-27(2)11-9-23)19-4-6-21(25)7-5-19/h4-7,12-14H,3,8-11,15-16H2,1-2H3.
What are the key properties of 5-chloro-2-ethyl-7-[[4-(4-fluorophenyl)-1-methylpiperidin-4-yl]methoxymethyl]indazole?
5-chloro-2-ethyl-7-[[4-(4-fluorophenyl)-1-methylpiperidin-4-yl]methoxymethyl]indazole has a molecular weight of 415.94 g/mol, XLogP of 5.03, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-ethyl-7-[[4-(4-fluorophenyl)-1-methylpiperidin-4-yl]methoxymethyl]indazole is sourced from PubChem (CID 143744707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).