4-[1-[2-(cyclopropylmethyl)-5-methylindazol-7-yl]ethoxymethyl]-4-(4-fluorophenyl)piperidine-1-carboxylic acid

C27H32FN3O3 — CID 67402385

IUPAC4-[1-[2-(cyclopropylmethyl)-5-methylindazol-7-yl]ethoxymethyl]-4-(4-fluorophenyl)piperidine-1-carboxylic acid
SMILESCc1cc(C(C)OCC2(c3ccc(F)cc3)CCN(C(=O)O)CC2)c2nn(CC3CC3)cc2c1
InChIInChI=1S/C27H32FN3O3/c1-18-13-21-16-31(15-20-3-4-20)29-25(21)24(14-18)19(2)34-17-27(22-5-7-23(28)8-6-22)9-11-30(12-10-27)26(32)33/h5-8,13-14,16,19-20H,3-4,9-12,15,17H2,1-2H3,(H,32,33)
InChIKeySEMNONQCAMFTIQ-UHFFFAOYSA-N
MW465.57 g/mol
LogP5.68
Rot. Bonds7

About 4-[1-[2-(cyclopropylmethyl)-5-methylindazol-7-yl]ethoxymethyl]-4-(4-fluorophenyl)piperidine-1-carboxylic acid

4-[1-[2-(cyclopropylmethyl)-5-methylindazol-7-yl]ethoxymethyl]-4-(4-fluorophenyl)piperidine-1-carboxylic acid (PubChem CID 67402385) has the molecular formula C27H32FN3O3 and a molecular weight of 465.57 g/mol. Its IUPAC name is 4-[1-[2-(cyclopropylmethyl)-5-methylindazol-7-yl]ethoxymethyl]-4-(4-fluorophenyl)piperidine-1-carboxylic acid.

Molecular Properties

Compound Name4-[1-[2-(cyclopropylmethyl)-5-methylindazol-7-yl]ethoxymethyl]-4-(4-fluorophenyl)piperidine-1-carboxylic acid
PubChem CID67402385
Molecular FormulaC27H32FN3O3
Molecular Weight465.57 g/mol
Exact Mass465.24
IUPAC Name4-[1-[2-(cyclopropylmethyl)-5-methylindazol-7-yl]ethoxymethyl]-4-(4-fluorophenyl)piperidine-1-carboxylic acid
SMILESCc1cc(C(C)OCC2(c3ccc(F)cc3)CCN(C(=O)O)CC2)c2nn(CC3CC3)cc2c1
InChIInChI=1S/C27H32FN3O3/c1-18-13-21-16-31(15-20-3-4-20)29-25(21)24(14-18)19(2)34-17-27(22-5-7-23(28)8-6-22)9-11-30(12-10-27)26(32)33/h5-8,13-14,16,19-20H,3-4,9-12,15,17H2,1-2H3,(H,32,33)
InChIKeySEMNONQCAMFTIQ-UHFFFAOYSA-N
XLogP5.68
TPSA67.59 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500465.57
LogP ≤ 55.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-Methyl-5-[[4-[[3-(trifluoromethyl)phenyl]methoxy]piperidin-1-yl]methyl]indazole
CID 168275381
5-[[4-[(3,4-Difluorophenyl)methoxy]piperidin-1-yl]methyl]-1-methylindazole
CID 168296363
5-chloro-1-(cyclopropylmethyl)-7-[(1R)-1-[[4-(4-fluorophenyl)-1-methylpiperidin-4-yl]methoxy]ethyl]indazole
CID 25159405
1-Methyl-7-(((4-phenylpiperidin-4-yl)methoxy)methyl)-5-(trifluoromethyl)-1H-indazole
CID 25159782
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
7-(((4-(4-Fluorophenyl)piperidin-4-yl)methoxy)methyl)-2-methyl-5-(trifluoromethyl)-2H-indazole
CID 25159787
7-(((4-(4-Fluorophenyl)piperidin-4-yl)methoxy)methyl)-1-methyl-5-(trifluoromethyl)-1H-indazole
CID 25159917
7-(((4-(4-Fluorophenyl)-1-methylpiperidin-4-yl)methoxy)methyl)-1-methyl-5-(trifluoromethyl)-1H-indazole
CID 25159919
7-[1-[[4-(4-Fluorophenyl)-1-methylpiperidin-4-yl]methoxy]ethyl]-1-methyl-5-(trifluoromethyl)indazole
CID 25159920
7-[1-[[4-(4-Fluorophenyl)piperidin-4-yl]methoxy]ethyl]-1-methyl-5-(trifluoromethyl)indazole
CID 25159922

Frequently Asked Questions

What is the IUPAC name of 4-[1-[2-(cyclopropylmethyl)-5-methylindazol-7-yl]ethoxymethyl]-4-(4-fluorophenyl)piperidine-1-carboxylic acid?
The IUPAC name of 4-[1-[2-(cyclopropylmethyl)-5-methylindazol-7-yl]ethoxymethyl]-4-(4-fluorophenyl)piperidine-1-carboxylic acid (CID 67402385) is 4-[1-[2-(cyclopropylmethyl)-5-methylindazol-7-yl]ethoxymethyl]-4-(4-fluorophenyl)piperidine-1-carboxylic acid.
What is the SMILES notation for 4-[1-[2-(cyclopropylmethyl)-5-methylindazol-7-yl]ethoxymethyl]-4-(4-fluorophenyl)piperidine-1-carboxylic acid?
The canonical SMILES for 4-[1-[2-(cyclopropylmethyl)-5-methylindazol-7-yl]ethoxymethyl]-4-(4-fluorophenyl)piperidine-1-carboxylic acid is Cc1cc(C(C)OCC2(c3ccc(F)cc3)CCN(C(=O)O)CC2)c2nn(CC3CC3)cc2c1.
What is the InChIKey of 4-[1-[2-(cyclopropylmethyl)-5-methylindazol-7-yl]ethoxymethyl]-4-(4-fluorophenyl)piperidine-1-carboxylic acid?
The InChIKey is SEMNONQCAMFTIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H32FN3O3/c1-18-13-21-16-31(15-20-3-4-20)29-25(21)24(14-18)19(2)34-17-27(22-5-7-23(28)8-6-22)9-11-30(12-10-27)26(32)33/h5-8,13-14,16,19-20H,3-4,9-12,15,17H2,1-2H3,(H,32,33).
What are the key properties of 4-[1-[2-(cyclopropylmethyl)-5-methylindazol-7-yl]ethoxymethyl]-4-(4-fluorophenyl)piperidine-1-carboxylic acid?
4-[1-[2-(cyclopropylmethyl)-5-methylindazol-7-yl]ethoxymethyl]-4-(4-fluorophenyl)piperidine-1-carboxylic acid has a molecular weight of 465.57 g/mol, XLogP of 5.68, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-[2-(cyclopropylmethyl)-5-methylindazol-7-yl]ethoxymethyl]-4-(4-fluorophenyl)piperidine-1-carboxylic acid is sourced from PubChem (CID 67402385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).