2-[5-chloro-7-[(1R)-1-[[4-(4-fluorophenyl)-1-methylpiperidin-4-yl]methoxy]ethyl]indazol-2-yl]acetonitrile

C24H26ClFN4O — CID 25159404

IUPAC2-[5-chloro-7-[(1R)-1-[[4-(4-fluorophenyl)-1-methylpiperidin-4-yl]methoxy]ethyl]indazol-2-yl]acetonitrile
SMILESC[C@@H](OCC1(c2ccc(F)cc2)CCN(C)CC1)c1cc(Cl)cc2cn(CC#N)nc12
InChIInChI=1S/C24H26ClFN4O/c1-17(22-14-20(25)13-18-15-30(12-9-27)28-23(18)22)31-16-24(7-10-29(2)11-8-24)19-3-5-21(26)6-4-19/h3-6,13-15,17H,7-8,10-12,16H2,1-2H3/t17-/m1/s1
InChIKeyJVTYLILXXFFIIH-QGZVFWFLSA-N
MW440.95 g/mol
LogP5.09
Rot. Bonds6

About 2-[5-chloro-7-[(1R)-1-[[4-(4-fluorophenyl)-1-methylpiperidin-4-yl]methoxy]ethyl]indazol-2-yl]acetonitrile

2-[5-chloro-7-[(1R)-1-[[4-(4-fluorophenyl)-1-methylpiperidin-4-yl]methoxy]ethyl]indazol-2-yl]acetonitrile (PubChem CID 25159404) has the molecular formula C24H26ClFN4O and a molecular weight of 440.95 g/mol. Its IUPAC name is 2-[5-chloro-7-[(1R)-1-[[4-(4-fluorophenyl)-1-methylpiperidin-4-yl]methoxy]ethyl]indazol-2-yl]acetonitrile.

Molecular Properties

Compound Name2-[5-chloro-7-[(1R)-1-[[4-(4-fluorophenyl)-1-methylpiperidin-4-yl]methoxy]ethyl]indazol-2-yl]acetonitrile
PubChem CID25159404
Molecular FormulaC24H26ClFN4O
Molecular Weight440.95 g/mol
Exact Mass440.18
IUPAC Name2-[5-chloro-7-[(1R)-1-[[4-(4-fluorophenyl)-1-methylpiperidin-4-yl]methoxy]ethyl]indazol-2-yl]acetonitrile
SMILESC[C@@H](OCC1(c2ccc(F)cc2)CCN(C)CC1)c1cc(Cl)cc2cn(CC#N)nc12
InChIInChI=1S/C24H26ClFN4O/c1-17(22-14-20(25)13-18-15-30(12-9-27)28-23(18)22)31-16-24(7-10-29(2)11-8-24)19-3-5-21(26)6-4-19/h3-6,13-15,17H,7-8,10-12,16H2,1-2H3/t17-/m1/s1
InChIKeyJVTYLILXXFFIIH-QGZVFWFLSA-N
XLogP5.09
TPSA54.08 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500440.95
LogP ≤ 55.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

5-[[4-[(4-Chloro-3-fluorophenyl)methoxy]piperidin-1-yl]methyl]-1-methylindazole
CID 168290895
3,5-dichloro-7-[(1R)-1-[[4-(4-fluorophenyl)-1-methylpiperidin-4-yl]methoxy]ethyl]-2H-indazole
CID 25134302
5-chloro-1-(cyclopropylmethyl)-7-[(1R)-1-[[4-(4-fluorophenyl)-1-methylpiperidin-4-yl]methoxy]ethyl]indazole
CID 25159405
3,5-dichloro-7-[(1R)-1-[[4-[(4-fluorophenyl)methyl]piperidin-4-yl]methoxy]ethyl]-2-(2,2,2-trifluoroethyl)indazole
CID 25159406
2-(5-chloro-1H-indazol-7-yl)-2-[[4-(4-fluorophenyl)-1-methylpiperidin-4-yl]methoxy]-N,N-dimethylethanamine
CID 25159407
2-(5-chloro-1H-indazol-7-yl)-2-[[4-(4-fluorophenyl)piperidin-4-yl]methoxy]-N,N-dimethylethanamine
CID 25159408
5-chloro-7-[1-[[4-(4-fluorophenyl)piperidin-4-yl]methoxy]propyl]-1H-indazole
CID 25159409
5-chloro-7-[2,2-difluoro-1-[[4-(4-fluorophenyl)-1-methylpiperidin-4-yl]methoxy]ethyl]-1H-indazole
CID 25159526
(+/-)-5-chloro-7-(1-((4-(4-fluorophenyl)-1-methylpiperidin-4-yl)methoxy)ethyl)-1H-indole-3-carbonitrile
CID 25159528
2-Methyl-7-(((4-phenylpiperidin-4-yl)methoxy)methyl)-5-(trifluoromethyl)-2H-indazole
CID 25159783
1-Methyl-7-(((1-methyl-4-phenylpiperidin-4-yl)methoxy)methyl)-5-(trifluoromethyl)-1H-indazole
CID 25159784
2-Methyl-7-(((1-methyl-4-phenylpiperidin-4-yl)methoxy)methyl)-5-(trifluoromethyl)-2H-indazole
CID 25159785

Frequently Asked Questions

What is the IUPAC name of 2-[5-chloro-7-[(1R)-1-[[4-(4-fluorophenyl)-1-methylpiperidin-4-yl]methoxy]ethyl]indazol-2-yl]acetonitrile?
The IUPAC name of 2-[5-chloro-7-[(1R)-1-[[4-(4-fluorophenyl)-1-methylpiperidin-4-yl]methoxy]ethyl]indazol-2-yl]acetonitrile (CID 25159404) is 2-[5-chloro-7-[(1R)-1-[[4-(4-fluorophenyl)-1-methylpiperidin-4-yl]methoxy]ethyl]indazol-2-yl]acetonitrile.
What is the SMILES notation for 2-[5-chloro-7-[(1R)-1-[[4-(4-fluorophenyl)-1-methylpiperidin-4-yl]methoxy]ethyl]indazol-2-yl]acetonitrile?
The canonical SMILES for 2-[5-chloro-7-[(1R)-1-[[4-(4-fluorophenyl)-1-methylpiperidin-4-yl]methoxy]ethyl]indazol-2-yl]acetonitrile is C[C@@H](OCC1(c2ccc(F)cc2)CCN(C)CC1)c1cc(Cl)cc2cn(CC#N)nc12.
What is the InChIKey of 2-[5-chloro-7-[(1R)-1-[[4-(4-fluorophenyl)-1-methylpiperidin-4-yl]methoxy]ethyl]indazol-2-yl]acetonitrile?
The InChIKey is JVTYLILXXFFIIH-QGZVFWFLSA-N. The full InChI is InChI=1S/C24H26ClFN4O/c1-17(22-14-20(25)13-18-15-30(12-9-27)28-23(18)22)31-16-24(7-10-29(2)11-8-24)19-3-5-21(26)6-4-19/h3-6,13-15,17H,7-8,10-12,16H2,1-2H3/t17-/m1/s1.
What are the key properties of 2-[5-chloro-7-[(1R)-1-[[4-(4-fluorophenyl)-1-methylpiperidin-4-yl]methoxy]ethyl]indazol-2-yl]acetonitrile?
2-[5-chloro-7-[(1R)-1-[[4-(4-fluorophenyl)-1-methylpiperidin-4-yl]methoxy]ethyl]indazol-2-yl]acetonitrile has a molecular weight of 440.95 g/mol, XLogP of 5.09, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-chloro-7-[(1R)-1-[[4-(4-fluorophenyl)-1-methylpiperidin-4-yl]methoxy]ethyl]indazol-2-yl]acetonitrile is sourced from PubChem (CID 25159404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).